2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid

C14H19N3O3 — CID 64616835

IUPAC2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCNCc1cccc(NC(=O)N2CC(CC(=O)O)C2)c1
InChIInChI=1S/C14H19N3O3/c1-15-7-10-3-2-4-12(5-10)16-14(20)17-8-11(9-17)6-13(18)19/h2-5,11,15H,6-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyJGDJGKQKSOLQHR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.34
Rot. Bonds5

About 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid

2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 64616835) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid
PubChem CID64616835
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid
SMILESCNCc1cccc(NC(=O)N2CC(CC(=O)O)C2)c1
InChIInChI=1S/C14H19N3O3/c1-15-7-10-3-2-4-12(5-10)16-14(20)17-8-11(9-17)6-13(18)19/h2-5,11,15H,6-9H2,1H3,(H,16,20)(H,18,19)
InChIKeyJGDJGKQKSOLQHR-UHFFFAOYSA-N
XLogP1.34
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-hydroxy-1-[[3-(methylaminomethyl)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 64714809
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
2-[1-[(4-methylsulfanylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618401
2-[1-[(4-methoxyphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618602
2-[1-[(4-butylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617432
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689912
2-[carboxymethyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]acetic acid
CID 63646129
2-[1-[(2-methylphenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64616406
1-N-(3-ethylphenyl)pyrrolidine-1,3,4-tricarboxamide
CID 126815827
3-[methyl-[[3-(methylaminomethyl)phenyl]carbamoyl]amino]propanoic acid
CID 55134853
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 53214090

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid (CID 64616835) is 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid is CNCc1cccc(NC(=O)N2CC(CC(=O)O)C2)c1.
What is the InChIKey of 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is JGDJGKQKSOLQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-15-7-10-3-2-4-12(5-10)16-14(20)17-8-11(9-17)6-13(18)19/h2-5,11,15H,6-9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(methylaminomethyl)phenyl]carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 64616835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).