(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid

C14H20N2O4 — CID 107566509

IUPAC(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1ccccc1COC)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-6-12(13(17)18)16-14(19)15-11-8-5-4-7-10(11)9-20-2/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyZMOCBWHMXQMICU-GFCCVEGCSA-N
MW280.32 g/mol
LogP2.21
Rot. Bonds7

About (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid

(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid (PubChem CID 107566509) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
PubChem CID107566509
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1ccccc1COC)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-3-6-12(13(17)18)16-14(19)15-11-8-5-4-7-10(11)9-20-2/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1
InChIKeyZMOCBWHMXQMICU-GFCCVEGCSA-N
XLogP2.21
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic 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

(2S)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 107145726
2-[2-(methoxymethyl)anilino]pentanoic acid
CID 83041000
2-[(2-ethylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480074
(2S)-2-[(2-bromophenyl)carbamoylamino]pentanoic acid
CID 107566056
(2R)-2-[(2-chlorophenyl)carbamoylamino]pentanoic acid
CID 107564789
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 82847223
2-[(2-ethylphenyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 3281721
(2S)-2-[(2-fluoro-3-methylphenyl)carbamoylamino]pentanoic acid
CID 114254327
1-[2-(methoxymethyl)phenyl]-3-methylurea
CID 115582115
1-[2-(methoxymethyl)phenyl]-3-[(1S)-2,2,2-trifluoro-1-phenylethyl]urea
CID 95297580

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid (CID 107566509) is (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)Nc1ccccc1COC)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid?
The InChIKey is ZMOCBWHMXQMICU-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-6-12(13(17)18)16-14(19)15-11-8-5-4-7-10(11)9-20-2/h4-5,7-8,12H,3,6,9H2,1-2H3,(H,17,18)(H2,15,16,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid?
(2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid has a molecular weight of 280.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(methoxymethyl)phenyl]carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).