prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate

C51H73N9O11 — CID 159224655

IUPACprop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate
SMILESC=CCOC(=O)N[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(C)=O)C1
InChIInChI=1S/C51H73N9O11/c1-3-30-71-51(70)52-34-21-20-33(31-34)43(62)54-23-5-13-36(54)45(64)56-25-7-15-38(56)47(66)58-27-9-17-40(58)49(68)60-29-11-19-42(60)50(69)59-28-10-18-41(59)48(67)57-26-8-16-39(57)46(65)55-24-6-14-37(55)44(63)53-22-4-12-35(53)32(2)61/h3,33-42H,1,4-31H2,2H3,(H,52,70)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKeyKSDDHRBPUMPRKA-NUDUWCFGSA-N
MW988.20 g/mol
LogP1.58
Rot. Bonds12

About prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate

prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate (PubChem CID 159224655) has the molecular formula C51H73N9O11 and a molecular weight of 988.20 g/mol. Its IUPAC name is prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate
PubChem CID159224655
Molecular FormulaC51H73N9O11
Molecular Weight988.20 g/mol
Exact Mass987.54
IUPAC Nameprop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate
SMILESC=CCOC(=O)N[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(C)=O)C1
InChIInChI=1S/C51H73N9O11/c1-3-30-71-51(70)52-34-21-20-33(31-34)43(62)54-23-5-13-36(54)45(64)56-25-7-15-38(56)47(66)58-27-9-17-40(58)49(68)60-29-11-19-42(60)50(69)59-28-10-18-41(59)48(67)57-26-8-16-39(57)46(65)55-24-6-14-37(55)44(63)53-22-4-12-35(53)32(2)61/h3,33-42H,1,4-31H2,2H3,(H,52,70)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKeyKSDDHRBPUMPRKA-NUDUWCFGSA-N
XLogP1.58
TPSA217.88 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.20
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate with MolForge

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Related Compounds

cis-(1R,3S)-3-(prop-2-enoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 106320412
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
methyl 1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 43623815
prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567125
1-[(2S)-2-acetylpyrrolidin-1-yl]prop-2-en-1-one
CID 176716114
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525
methyl N-[(3S)-3-acetylcyclopentyl]carbamate
CID 89494881
1-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-methylhexane-1,4-dione
CID 138721650
2-O-(3-methylbut-2-enyl) 1-O-prop-2-enyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 10956492
1-(3-aminocyclohexanecarbonyl)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 119728127
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
1-[3-(prop-2-enoxycarbonylamino)cyclobutyl]pyrazole-4-carboxylic acid
CID 166000657

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate?
The IUPAC name of prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate (CID 159224655) is prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate?
The canonical SMILES for prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate is C=CCOC(=O)N[C@H]1CC[C@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(C)=O)C1.
What is the InChIKey of prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate?
The InChIKey is KSDDHRBPUMPRKA-NUDUWCFGSA-N. The full InChI is InChI=1S/C51H73N9O11/c1-3-30-71-51(70)52-34-21-20-33(31-34)43(62)54-23-5-13-36(54)45(64)56-25-7-15-38(56)47(66)58-27-9-17-40(58)49(68)60-29-11-19-42(60)50(69)59-28-10-18-41(59)48(67)57-26-8-16-39(57)46(65)55-24-6-14-37(55)44(63)53-22-4-12-35(53)32(2)61/h3,33-42H,1,4-31H2,2H3,(H,52,70)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1.
What are the key properties of prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate?
prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate has a molecular weight of 988.20 g/mol, XLogP of 1.58, 12 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[(1S,3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-acetylpyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]cyclopentyl]carbamate is sourced from PubChem (CID 159224655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).