4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid

C12H22N2O4 — CID 114101487

IUPAC4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
SMILESCCCC1(CNC(=O)NC(CCO)C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-4-12(5-6-12)8-13-11(18)14-9(3-7-15)10(16)17/h9,15H,2-8H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeySUQPGVVDROWJIO-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.70
Rot. Bonds8

About 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid

4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid (PubChem CID 114101487) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
PubChem CID114101487
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid
SMILESCCCC1(CNC(=O)NC(CCO)C(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-4-12(5-6-12)8-13-11(18)14-9(3-7-15)10(16)17/h9,15H,2-8H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeySUQPGVVDROWJIO-UHFFFAOYSA-N
XLogP0.70
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]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

1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
CID 103761309
(2R)-4-hydroxy-2-[(1-methylsulfanylcyclobutyl)methylcarbamoylamino]butanoic acid
CID 114117081
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2S)-2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]hexanoic acid
CID 107146456
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101
(2S)-2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanoic acid
CID 107567774
1-[(2R)-1-methoxypropan-2-yl]-3-[(1-propylcyclopropyl)methyl]urea
CID 97098099
1-(1-methoxypropan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
CID 71919516
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
4-hydroxy-2-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 63244717
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]hexanoic acid
CID 105419510
4-hydroxy-2-(2-methylprop-2-enylcarbamoylamino)butanoic acid
CID 114618138

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid (CID 114101487) is 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid is CCCC1(CNC(=O)NC(CCO)C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid?
The InChIKey is SUQPGVVDROWJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-4-12(5-6-12)8-13-11(18)14-9(3-7-15)10(16)17/h9,15H,2-8H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid?
4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.70, 8 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(1-propylcyclopropyl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 114101487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).