3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid

C14H16ClN3O4 — CID 122075641

IUPAC3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C14H16ClN3O4/c15-10-4-3-9(18-7-1-2-12(18)19)8-11(10)17-14(22)16-6-5-13(20)21/h3-4,8H,1-2,5-7H2,(H,20,21)(H2,16,17,22)
InChIKeyUEQHNMSYTVPDSL-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.06
Rot. Bonds5

About 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid

3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid (PubChem CID 122075641) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
PubChem CID122075641
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid
SMILESO=C(O)CCNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl
InChIInChI=1S/C14H16ClN3O4/c15-10-4-3-9(18-7-1-2-12(18)19)8-11(10)17-14(22)16-6-5-13(20)21/h3-4,8H,1-2,5-7H2,(H,20,21)(H2,16,17,22)
InChIKeyUEQHNMSYTVPDSL-UHFFFAOYSA-N
XLogP2.06
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(5-methyl-1H-pyrazol-3-yl)urea
CID 99835705
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CID 47352609
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 55675256
N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55676128
N'-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]oxamide
CID 47043061
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 55676037
2-chloro-N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]pyridine-4-carboxamide
CID 55675758
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-3-(dimethylamino)azetidine-1-carboxamide
CID 86789969
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55874064
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55675283
1-[[(3R)-3-hydroxypiperidin-3-yl]methyl]-3-[2-methyl-5-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 125163480
N-[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 48987924

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid?
The IUPAC name of 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid (CID 122075641) is 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid?
The canonical SMILES for 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid is O=C(O)CCNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl.
What is the InChIKey of 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid?
The InChIKey is UEQHNMSYTVPDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4/c15-10-4-3-9(18-7-1-2-12(18)19)8-11(10)17-14(22)16-6-5-13(20)21/h3-4,8H,1-2,5-7H2,(H,20,21)(H2,16,17,22).
What are the key properties of 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid?
3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid has a molecular weight of 325.75 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122075641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).