(2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate

C18H22N4O5 — CID 91086293

IUPAC(2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate
SMILESN[C@H](Cc1ccccc1)C(=O)N1CCCC1NC(=O)On1c(O)ccc1O
InChIInChI=1S/C18H22N4O5/c19-13(11-12-5-2-1-3-6-12)17(25)21-10-4-7-14(21)20-18(26)27-22-15(23)8-9-16(22)24/h1-3,5-6,8-9,13-14,23-24H,4,7,10-11,19H2,(H,20,26)/t13-,14?/m1/s1
InChIKeySQCGDQMFBLACNX-KWCCSABGSA-N
MW374.40 g/mol
LogP0.56
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate

(2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate (PubChem CID 91086293) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate
PubChem CID91086293
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate
SMILESN[C@H](Cc1ccccc1)C(=O)N1CCCC1NC(=O)On1c(O)ccc1O
InChIInChI=1S/C18H22N4O5/c19-13(11-12-5-2-1-3-6-12)17(25)21-10-4-7-14(21)20-18(26)27-22-15(23)8-9-16(22)24/h1-3,5-6,8-9,13-14,23-24H,4,7,10-11,19H2,(H,20,26)/t13-,14?/m1/s1
InChIKeySQCGDQMFBLACNX-KWCCSABGSA-N
XLogP0.56
TPSA130.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate with MolForge

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Related Compounds

methyl 1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate
CID 61163138
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 10640260
(2R)-2-amino-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 107218086
2-amino-1-(2-azabicyclo[4.1.0]heptan-2-yl)-3-phenylpropan-1-one
CID 117045939
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62478502
2-[(2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]-N-cycloheptyl-2-hydroxyacetamide
CID 10596394
benzyl (2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carboxylate;hydrochloride
CID 13391124
2-amino-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 62889985
tert-butyl N-[4-[[(2S)-1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]butyl]carbamate
CID 70059423
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpiperidine-2-carboxamide
CID 61163933
1-(2-amino-3-phenylpropanoyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 119289778

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate (CID 91086293) is (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate is N[C@H](Cc1ccccc1)C(=O)N1CCCC1NC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate?
The InChIKey is SQCGDQMFBLACNX-KWCCSABGSA-N. The full InChI is InChI=1S/C18H22N4O5/c19-13(11-12-5-2-1-3-6-12)17(25)21-10-4-7-14(21)20-18(26)27-22-15(23)8-9-16(22)24/h1-3,5-6,8-9,13-14,23-24H,4,7,10-11,19H2,(H,20,26)/t13-,14?/m1/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate?
(2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate has a molecular weight of 374.40 g/mol, XLogP of 0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) N-[1-[(2R)-2-amino-3-phenylpropanoyl]pyrrolidin-2-yl]carbamate is sourced from PubChem (CID 91086293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).