2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid

C12H13ClN2O3 — CID 64612265

IUPAC2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid
SMILESO=C(CC1CNC1)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H13ClN2O3/c13-8-2-1-3-9(11(8)12(17)18)15-10(16)4-7-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)(H,17,18)
InChIKeyRWHGVCWJGDZLSC-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.59
Rot. Bonds4

About 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid

2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid (PubChem CID 64612265) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid.

Molecular Properties

Compound Name2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid
PubChem CID64612265
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid
SMILESO=C(CC1CNC1)Nc1cccc(Cl)c1C(=O)O
InChIInChI=1S/C12H13ClN2O3/c13-8-2-1-3-9(11(8)12(17)18)15-10(16)4-7-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)(H,17,18)
InChIKeyRWHGVCWJGDZLSC-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553
2-(azetidin-3-yl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66254744
N-(2,3-dichlorophenyl)-2-piperidin-3-ylacetamide
CID 62675229
2-(azetidin-3-yl)-N-(2-methylphenyl)acetamide
CID 64615932
2-(azetidin-3-yl)-N-(2-piperidin-1-ylphenyl)acetamide
CID 64611833
2-chloro-6-[[2-(4-chlorophenyl)acetyl]amino]benzoic acid
CID 63724266
2-chloro-6-[(2-methylsulfanylacetyl)amino]benzoic acid
CID 63724953
2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide
CID 83167857
2-chloro-6-(3-phenylpropanoylamino)benzoic acid
CID 63723256
2-(azetidin-3-yl)-N-(2-tert-butylphenyl)acetamide
CID 64617575
2-(4-aminobutanoylamino)-6-chlorobenzoic acid
CID 63722595
2-chloro-6-(pentanoylamino)benzoic acid
CID 55231346

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid?
The IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid (CID 64612265) is 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid.
What is the SMILES notation for 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid?
The canonical SMILES for 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid is O=C(CC1CNC1)Nc1cccc(Cl)c1C(=O)O.
What is the InChIKey of 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid?
The InChIKey is RWHGVCWJGDZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c13-8-2-1-3-9(11(8)12(17)18)15-10(16)4-7-5-14-6-7/h1-3,7,14H,4-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid?
2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid has a molecular weight of 268.70 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-3-yl)acetyl]amino]-6-chlorobenzoic acid is sourced from PubChem (CID 64612265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).