2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid

C13H15ClN2O3 — CID 64617426

IUPAC2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(NC(=O)N2CC(CC(=O)O)C2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c1-8-2-3-11(10(14)4-8)15-13(19)16-6-9(7-16)5-12(17)18/h2-4,9H,5-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyITQRKTHVPSRJFZ-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.59
Rot. Bonds3

About 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64617426) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64617426
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCc1ccc(NC(=O)N2CC(CC(=O)O)C2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O3/c1-8-2-3-11(10(14)4-8)15-13(19)16-6-9(7-16)5-12(17)18/h2-4,9H,5-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyITQRKTHVPSRJFZ-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2-chloro-4-methylphenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79610817
2-[1-[(2,4-dimethylphenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62690811
2-[1-[(4-bromo-2-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691337
2-[1-[(5-bromo-2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618820
2-[1-(2-chloro-4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 106860599
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
2-[1-[(2-chloro-4-fluorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691149
2-[1-[(2-chloro-4-cyanophenyl)carbamoyl]pyrrolidin-3-yl]acetic acid
CID 107809245
(4aS,8aS)-N-(2-chloro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944346
2-[1-[(4-fluoro-2-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617654
N-(2-chloro-4-methylphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17148611

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid (CID 64617426) is 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid is Cc1ccc(NC(=O)N2CC(CC(=O)O)C2)c(Cl)c1.
What is the InChIKey of 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is ITQRKTHVPSRJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8-2-3-11(10(14)4-8)15-13(19)16-6-9(7-16)5-12(17)18/h2-4,9H,5-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 282.73 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64617426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).