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

C14H18N2O3 — CID 114484637

IUPAC2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
SMILESCc1cc(C(N)=O)ccc1CN1CC(CC(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-9-4-11(14(15)19)2-3-12(9)8-16-6-10(7-16)5-13(17)18/h2-4,10H,5-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyJHMSJXZSNLGXJC-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.00
Rot. Bonds5

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

2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid (PubChem CID 114484637) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
PubChem CID114484637
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
SMILESCc1cc(C(N)=O)ccc1CN1CC(CC(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-9-4-11(14(15)19)2-3-12(9)8-16-6-10(7-16)5-13(17)18/h2-4,10H,5-8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyJHMSJXZSNLGXJC-UHFFFAOYSA-N
XLogP1.00
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide
CID 114485293
3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 114484796
4-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-3-methylbenzamide
CID 114484857
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]acetic acid
CID 114075996
2-[1-[2-(4-carbamoylanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64618914
4-[(3-ethylpiperidin-1-yl)methyl]-3-methylbenzoic acid
CID 114485403
1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 114484309
2-[(4-carbamoyl-2-methylphenyl)methylsulfanyl]acetic acid
CID 114479212
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-3-methylbenzamide
CID 114480343
4-[(3,5-dimethylpiperidin-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114481702
4-[(dimethylamino)methyl]-3-methylbenzamide
CID 130557552

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid (CID 114484637) is 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid is Cc1cc(C(N)=O)ccc1CN1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid?
The InChIKey is JHMSJXZSNLGXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-4-11(14(15)19)2-3-12(9)8-16-6-10(7-16)5-13(17)18/h2-4,10H,5-8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid?
2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid has a molecular weight of 262.31 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 114484637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).