2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid

C14H17ClN2O3 — CID 116682712

IUPAC2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc(Cl)cc1NC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H17ClN2O3/c1-8-3-4-11(15)5-12(8)16-14(20)17-6-10(7-17)9(2)13(18)19/h3-5,9-10H,6-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXMUSKNMFTAWRFY-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.83
Rot. Bonds3

About 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid

2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid (PubChem CID 116682712) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
PubChem CID116682712
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
SMILESCc1ccc(Cl)cc1NC(=O)N1CC(C(C)C(=O)O)C1
InChIInChI=1S/C14H17ClN2O3/c1-8-3-4-11(15)5-12(8)16-14(20)17-6-10(7-17)9(2)13(18)19/h3-5,9-10H,6-7H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyXMUSKNMFTAWRFY-UHFFFAOYSA-N
XLogP2.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2,6-dichloro-3-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682753
2-[1-[(2,3-dichlorophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682846
(4aR,8aR)-N-(5-chloro-2-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944871
2-[1-[2-(4-chlorophenyl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 116682965
2-[1-[(2-ethylphenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682828
2-[1-[(3-bromo-4-chlorophenyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683475
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 20920182
2-[1-[[2-(dimethylamino)phenyl]carbamoyl]azetidin-3-yl]propanoic acid
CID 106760393
2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-2-cyclopropylacetic acid
CID 62697159
N-(5-chloro-2-methylphenyl)-3-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 3330309
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61192230
ethyl 1-[(5-chloro-2-methylphenyl)carbamoyl]piperidine-4-carboxylate
CID 3754378

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid (CID 116682712) is 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid is Cc1ccc(Cl)cc1NC(=O)N1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
The InChIKey is XMUSKNMFTAWRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-8-3-4-11(15)5-12(8)16-14(20)17-6-10(7-17)9(2)13(18)19/h3-5,9-10H,6-7H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid?
2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid has a molecular weight of 296.75 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-2-methylphenyl)carbamoyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).