(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid

C12H16N2O6 — CID 61181766

IUPAC(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCOc1ccc(OC)c(NC(=O)N[C@@H](CO)C(=O)O)c1
InChIInChI=1S/C12H16N2O6/c1-19-7-3-4-10(20-2)8(5-7)13-12(18)14-9(6-15)11(16)17/h3-5,9,15H,6H2,1-2H3,(H,16,17)(H2,13,14,18)/t9-/m0/s1
InChIKeyRVUJQURSYOYVAI-VIFPVBQESA-N
MW284.27 g/mol
LogP0.27
Rot. Bonds6

About (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid

(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 61181766) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID61181766
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCOc1ccc(OC)c(NC(=O)N[C@@H](CO)C(=O)O)c1
InChIInChI=1S/C12H16N2O6/c1-19-7-3-4-10(20-2)8(5-7)13-12(18)14-9(6-15)11(16)17/h3-5,9,15H,6H2,1-2H3,(H,16,17)(H2,13,14,18)/t9-/m0/s1
InChIKeyRVUJQURSYOYVAI-VIFPVBQESA-N
XLogP0.27
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic 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-[(2,5-dimethoxyphenyl)carbamoylamino]butanoic acid
CID 61181758
2-[(5-chloro-2-methoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61184240
3-hydroxy-2-[(2-methoxy-5-nitrophenyl)carbamoylamino]propanoic acid
CID 61195522
methyl (2R)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-4-methylpentanoate
CID 51426599
2-[(4-chloro-2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61181908
2-[(2,5-dimethoxybenzoyl)amino]-3-hydroxypropanoic acid
CID 43357821
1-(2,5-dimethoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 40636303
1-(2,5-dimethoxyphenyl)-3-[(1R)-1-phenylethyl]urea
CID 40636304
3-[(2,5-dimethoxyphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700824
4-[(2,5-dimethoxyphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746034
2-[(2,5-dimethoxyphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536593
4-(2,5-dimethoxyanilino)-4-oxo-2-(propylamino)butanoic acid
CID 3381137

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid (CID 61181766) is (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid is COc1ccc(OC)c(NC(=O)N[C@@H](CO)C(=O)O)c1.
What is the InChIKey of (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is RVUJQURSYOYVAI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O6/c1-19-7-3-4-10(20-2)8(5-7)13-12(18)14-9(6-15)11(16)17/h3-5,9,15H,6H2,1-2H3,(H,16,17)(H2,13,14,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid?
(2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 284.27 g/mol, XLogP of 0.27, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dimethoxyphenyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61181766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).