2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid

C14H20N2O4 — CID 61417871

IUPAC2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(C)Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-11(13(17)18)15-14(19)16(2)9-10-7-5-6-8-12(10)20-3/h5-8,11H,4,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyDOZIHOCRZFDICU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.70
Rot. Bonds6

About 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid

2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid (PubChem CID 61417871) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid
PubChem CID61417871
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(C)Cc1ccccc1OC)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-11(13(17)18)15-14(19)16(2)9-10-7-5-6-8-12(10)20-3/h5-8,11H,4,9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyDOZIHOCRZFDICU-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic 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-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 61417870
2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-3-methoxypropanoic acid
CID 81084331
3-[(2-methoxyphenyl)methyl-methylamino]-3-oxopropanoic acid
CID 62232246
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
2-[(2-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469980
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 62852033
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]pentanoic acid
CID 61413250
3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
(2S)-2-[[(2-bromophenyl)methyl-methylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 61420011
1,1-diethyl-3-[(2-methoxyphenyl)methyl]-3-methylurea
CID 113233571
2-[(2-methoxyphenyl)methyl-methylamino]butanedioic acid
CID 115144426
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N-methylbutanamide
CID 55121106

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid (CID 61417871) is 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid is CCC(NC(=O)N(C)Cc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid?
The InChIKey is DOZIHOCRZFDICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-11(13(17)18)15-14(19)16(2)9-10-7-5-6-8-12(10)20-3/h5-8,11H,4,9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid?
2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-methoxyphenyl)methyl-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 61417871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).