2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid

C14H15ClN2O4 — CID 60827367

IUPAC2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)CNC(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H15ClN2O4/c15-10-3-1-2-9(6-10)14(21)16-7-12(18)17(8-13(19)20)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H,16,21)(H,19,20)
InChIKeyWHIJETZHLBBVSF-UHFFFAOYSA-N
MW310.74 g/mol
LogP1.15
Rot. Bonds6

About 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid

2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid (PubChem CID 60827367) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid
PubChem CID60827367
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC Name2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C(=O)CNC(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C14H15ClN2O4/c15-10-3-1-2-9(6-10)14(21)16-7-12(18)17(8-13(19)20)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H,16,21)(H,19,20)
InChIKeyWHIJETZHLBBVSF-UHFFFAOYSA-N
XLogP1.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
4-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43241156
2-[cyclopropyl-[2-(1H-indole-2-carbonylamino)acetyl]amino]acetic acid
CID 119195154
ethyl 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-ethylamino]acetate
CID 78902099
3-chloro-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058931
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
N-[2-[butyl(methyl)amino]-2-oxoethyl]-3-chlorobenzamide
CID 78800713
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
CID 120517535
3-[[2-[(3-chlorobenzoyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 26110931
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
(2R)-1-[2-[(3-chlorobenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 78920198
N-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 102684785

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid (CID 60827367) is 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid is O=C(O)CN(C(=O)CNC(=O)c1cccc(Cl)c1)C1CC1.
What is the InChIKey of 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid?
The InChIKey is WHIJETZHLBBVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c15-10-3-1-2-9(6-10)14(21)16-7-12(18)17(8-13(19)20)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H,16,21)(H,19,20).
What are the key properties of 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid?
2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid has a molecular weight of 310.74 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-chlorobenzoyl)amino]acetyl]-cyclopropylamino]acetic acid is sourced from PubChem (CID 60827367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).