2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid

C14H20N2O3 — CID 54978487

IUPAC2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCc1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-3-8-16(10-13(17)18)14(19)15-9-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNOXQFZPTIZSDKQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.00
Rot. Bonds6

About 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid

2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid (PubChem CID 54978487) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
PubChem CID54978487
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)NCc1ccccc1C
InChIInChI=1S/C14H20N2O3/c1-3-8-16(10-13(17)18)14(19)15-9-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyNOXQFZPTIZSDKQ-UHFFFAOYSA-N
XLogP2.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic 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-[ethyl-[(2-methylphenyl)methylcarbamoyl]amino]acetic acid
CID 61205004
1-ethyl-1-(2-hydroxyethyl)-3-[(2-methylphenyl)methyl]urea
CID 108897193
2-[(3-ethyl-2-pyridinyl)methylcarbamoyl-propylamino]acetic acid
CID 82749531
2-[(2-methylphenyl)carbamoyl-propylamino]acetic acid
CID 61195729
3-[(2-methylphenyl)methyl]-1,1-bis(2-methylpropyl)urea
CID 108897239
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
2-[(4-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61194395
2-[(3-bromophenyl)methylcarbamoyl-propylamino]acetic acid
CID 61414401
2-[(2-bromophenyl)methylcarbamoyl-(carboxymethyl)amino]acetic acid
CID 63644952
2-[(2-ethylphenyl)methylcarbamoyl-prop-2-enylamino]acetic acid
CID 79285251
2-(2-methylphenyl)-N,N-dipropylacetamide
CID 86977350
2-[benzoyl(propyl)amino]acetic acid
CID 61011930

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid?
The IUPAC name of 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid (CID 54978487) is 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid.
What is the SMILES notation for 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid?
The canonical SMILES for 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)NCc1ccccc1C.
What is the InChIKey of 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid?
The InChIKey is NOXQFZPTIZSDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-8-16(10-13(17)18)14(19)15-9-12-7-5-4-6-11(12)2/h4-7H,3,8-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid?
2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylcarbamoyl-propylamino]acetic acid is sourced from PubChem (CID 54978487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).