(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid

C14H15ClN2O4 — CID 107314795

IUPAC(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(CN1CCCC1=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O4/c15-10-5-2-1-4-9(10)13(14(20)21)16-11(18)8-17-7-3-6-12(17)19/h1-2,4-5,13H,3,6-8H2,(H,16,18)(H,20,21)/t13-/m1/s1
InChIKeyARKWZQSPRFFUMZ-CYBMUJFWSA-N
MW310.74 g/mol
LogP1.20
Rot. Bonds5

About (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid

(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid (PubChem CID 107314795) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid
PubChem CID107314795
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(CN1CCCC1=O)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C14H15ClN2O4/c15-10-5-2-1-4-9(10)13(14(20)21)16-11(18)8-17-7-3-6-12(17)19/h1-2,4-5,13H,3,6-8H2,(H,16,18)(H,20,21)/t13-/m1/s1
InChIKeyARKWZQSPRFFUMZ-CYBMUJFWSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 31321499
1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 107861264
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 102673706
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 111452400
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
2-(2-chlorophenyl)-2-(3-methylbutanoylamino)acetic acid
CID 82092999
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122132392
2-(2-oxopiperidin-1-yl)-N-propan-2-ylacetamide
CID 110689762
N-(2-ethyl-1-phenylbutyl)-2-(2-oxoazocan-1-yl)acetamide
CID 55763443
N-[1-(3-chlorophenyl)ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 47005488

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid (CID 107314795) is (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid is O=C(CN1CCCC1=O)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is ARKWZQSPRFFUMZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-10-5-2-1-4-9(10)13(14(20)21)16-11(18)8-17-7-3-6-12(17)19/h1-2,4-5,13H,3,6-8H2,(H,16,18)(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid?
(2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 310.74 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 107314795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).