[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate

C18H30N4O6 — CID 175380256

IUPAC[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate
SMILESCC(C)C[C@H](OC(N)=O)C(=O)N[C@@H](CC1CCNC1=O)C(O)C(=O)NC1CC1
InChIInChI=1S/C18H30N4O6/c1-9(2)7-13(28-18(19)27)16(25)22-12(8-10-5-6-20-15(10)24)14(23)17(26)21-11-3-4-11/h9-14,23H,3-8H2,1-2H3,(H2,19,27)(H,20,24)(H,21,26)(H,22,25)/t10?,12-,13-,14?/m0/s1
InChIKeyPBLHVZZFSXKHPL-IFFXXYNGSA-N
MW398.46 g/mol
LogP-0.85
Rot. Bonds10

About [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate

[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate (PubChem CID 175380256) has the molecular formula C18H30N4O6 and a molecular weight of 398.46 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate
PubChem CID175380256
Molecular FormulaC18H30N4O6
Molecular Weight398.46 g/mol
Exact Mass398.22
IUPAC Name[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate
SMILESCC(C)C[C@H](OC(N)=O)C(=O)N[C@@H](CC1CCNC1=O)C(O)C(=O)NC1CC1
InChIInChI=1S/C18H30N4O6/c1-9(2)7-13(28-18(19)27)16(25)22-12(8-10-5-6-20-15(10)24)14(23)17(26)21-11-3-4-11/h9-14,23H,3-8H2,1-2H3,(H2,19,27)(H,20,24)(H,21,26)(H,22,25)/t10?,12-,13-,14?/m0/s1
InChIKeyPBLHVZZFSXKHPL-IFFXXYNGSA-N
XLogP-0.85
TPSA159.85 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 5-0.85
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate with MolForge

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Related Compounds

[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 175379734
[(2R,4R)-4-methyl-1-[[(2R)-1-methylsulfanyl-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]-1-oxo-6-phenylhexan-2-yl] carbamate
CID 162533352
(7S)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-6-azaspiro[2.5]octane-7-carboxamide
CID 166936838
methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158532363
[(3S)-3-amino-1-(cyclopropylamino)-1-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl] acetate
CID 171088245
(2S)-N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-4,4-dimethyl-2-(3-phenylpropanoylamino)pentanamide
CID 164532071
tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
(2S)-N-[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 163514518
[(2R,4R)-4-methyl-1-oxo-1-[[(2R)-1-[(3R)-2-oxopyrrolidin-3-yl]-3-(2-sulfamoylethylamino)propan-2-yl]amino]-6-phenylhexan-2-yl] carbamate
CID 162533349
(3S)-3-amino-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]-N-propan-2-ylbutanamide;hydrochloride
CID 134306097
9H-fluoren-9-ylmethyl N-[(2R)-1-[[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 167254880

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate?
The IUPAC name of [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate (CID 175380256) is [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate.
What is the SMILES notation for [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate?
The canonical SMILES for [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate is CC(C)C[C@H](OC(N)=O)C(=O)N[C@@H](CC1CCNC1=O)C(O)C(=O)NC1CC1.
What is the InChIKey of [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate?
The InChIKey is PBLHVZZFSXKHPL-IFFXXYNGSA-N. The full InChI is InChI=1S/C18H30N4O6/c1-9(2)7-13(28-18(19)27)16(25)22-12(8-10-5-6-20-15(10)24)14(23)17(26)21-11-3-4-11/h9-14,23H,3-8H2,1-2H3,(H2,19,27)(H,20,24)(H,21,26)(H,22,25)/t10?,12-,13-,14?/m0/s1.
What are the key properties of [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate?
[(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate has a molecular weight of 398.46 g/mol, XLogP of -0.85, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2S)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]amino]-4-methyl-1-oxopentan-2-yl] carbamate is sourced from PubChem (CID 175380256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).