2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid

C14H15ClN2O5 — CID 108800085

IUPAC2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H15ClN2O5/c15-9-1-3-10(4-2-9)17-6-8(5-12(17)19)13(20)16-11(7-18)14(21)22/h1-4,8,11,18H,5-7H2,(H,16,20)(H,21,22)
InChIKeyCTIYQYLJWGBPEP-UHFFFAOYSA-N
MW326.74 g/mol
LogP0.25
Rot. Bonds5

About 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid

2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid (PubChem CID 108800085) has the molecular formula C14H15ClN2O5 and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid
PubChem CID108800085
Molecular FormulaC14H15ClN2O5
Molecular Weight326.74 g/mol
Exact Mass326.07
IUPAC Name2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid
SMILESO=C(NC(CO)C(=O)O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C14H15ClN2O5/c15-9-1-3-10(4-2-9)17-6-8(5-12(17)19)13(20)16-11(7-18)14(21)22/h1-4,8,11,18H,5-7H2,(H,16,20)(H,21,22)
InChIKeyCTIYQYLJWGBPEP-UHFFFAOYSA-N
XLogP0.25
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-ethylsulfonylbutanoic acid
CID 108800173
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9391280
(3R)-1-(4-chlorophenyl)-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 684343
2-[[5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carbonyl]amino]butanedioic acid
CID 108791082
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741
(3S)-1-(4-chlorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 774264
2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548947
(3R)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 1339975
(3R)-1-(4-chlorophenyl)-N-[2-(cyclopropanecarbonylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 94168240

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid (CID 108800085) is 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid is O=C(NC(CO)C(=O)O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid?
The InChIKey is CTIYQYLJWGBPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5/c15-9-1-3-10(4-2-9)17-6-8(5-12(17)19)13(20)16-11(7-18)14(21)22/h1-4,8,11,18H,5-7H2,(H,16,20)(H,21,22).
What are the key properties of 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid?
2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid has a molecular weight of 326.74 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 108800085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).