3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid

C12H22N2O4 — CID 114144655

IUPAC3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(CC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(2)7-14(9-4-5-9)12(17)13-6-10(18-3)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyNGHRWBJKDJEYKN-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds7

About 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid

3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 114144655) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID114144655
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(CC(C)C)C1CC1)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-8(2)7-14(9-4-5-9)12(17)13-6-10(18-3)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyNGHRWBJKDJEYKN-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic 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

3-[[(2-amino-2-oxoethyl)-cyclopentylcarbamoyl]amino]-2-methoxypropanoic acid
CID 106109953
3-[[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109863
3-(2-cyclopropylpropanoylamino)-2-methoxypropanoic acid
CID 106107430
4-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 55001169
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428628
2-methoxy-3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 106109760
2-[[[cyclopropyl(3-methylbutyl)carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 79004991
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
CID 106109985
2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485
(2S)-4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840486
2-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55001073

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid (CID 114144655) is 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)N(CC(C)C)C1CC1)C(=O)O.
What is the InChIKey of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is NGHRWBJKDJEYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(2)7-14(9-4-5-9)12(17)13-6-10(18-3)11(15)16/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid?
3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2-methylpropyl)carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 114144655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).