(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

C19H26N2O3 — CID 125119984

IUPAC(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@H]1C(=O)O)N[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C19H26N2O3/c22-17(13-21-12-6-11-16(21)19(23)24)20-18(15-9-4-5-10-15)14-7-2-1-3-8-14/h1-3,7-8,15-16,18H,4-6,9-13H2,(H,20,22)(H,23,24)/t16-,18-/m0/s1
InChIKeyZFXWAHQSSKQJRB-WMZOPIPTSA-N
MW330.43 g/mol
LogP2.58
Rot. Bonds6

About (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 125119984) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID125119984
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(CN1CCC[C@H]1C(=O)O)N[C@@H](c1ccccc1)C1CCCC1
InChIInChI=1S/C19H26N2O3/c22-17(13-21-12-6-11-16(21)19(23)24)20-18(15-9-4-5-10-15)14-7-2-1-3-8-14/h1-3,7-8,15-16,18H,4-6,9-13H2,(H,20,22)(H,23,24)/t16-,18-/m0/s1
InChIKeyZFXWAHQSSKQJRB-WMZOPIPTSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909069
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(2R)-2,4-dimethylpiperazin-1-yl]acetamide
CID 97094338
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-[(R)-cyclopropyl(phenyl)methyl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569803
N-[cyclopropyl(phenyl)methyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 75369068
1-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907923
(2S)-1-[2-(dicyclopropylmethylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910676
N-[(R)-cyclopentyl(phenyl)methyl]-2-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]acetamide
CID 98764094
N-[(R)-cyclopentyl(phenyl)methyl]-2-(4-ethylsulfonylpiperazin-1-yl)acetamide
CID 129367856
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
1-[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909597

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 125119984) is (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is O=C(CN1CCC[C@H]1C(=O)O)N[C@@H](c1ccccc1)C1CCCC1.
What is the InChIKey of (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZFXWAHQSSKQJRB-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-17(13-21-12-6-11-16(21)19(23)24)20-18(15-9-4-5-10-15)14-7-2-1-3-8-14/h1-3,7-8,15-16,18H,4-6,9-13H2,(H,20,22)(H,23,24)/t16-,18-/m0/s1.
What are the key properties of (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-[[(R)-cyclopentyl(phenyl)methyl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 125119984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).