4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid

C12H22N2O4 — CID 107840239

IUPAC4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCC1CCC(NC(=O)NCCC(O)C(=O)O)C1C
InChIInChI=1S/C12H22N2O4/c1-7-3-4-9(8(7)2)14-12(18)13-6-5-10(15)11(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyVIYLQVKQWAZJLF-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.56
Rot. Bonds5

About 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid

4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid (PubChem CID 107840239) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid
PubChem CID107840239
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid
SMILESCC1CCC(NC(=O)NCCC(O)C(=O)O)C1C
InChIInChI=1S/C12H22N2O4/c1-7-3-4-9(8(7)2)14-12(18)13-6-5-10(15)11(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeyVIYLQVKQWAZJLF-UHFFFAOYSA-N
XLogP0.56
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-4-[(2-methylcyclohexyl)carbamoylamino]butanoic acid
CID 114007129
4-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80540743
2-hydroxy-4-[(4-methylcyclohexyl)carbamoylamino]butanoic acid
CID 107838097
1-(2,3-dimethylcyclopentyl)-3-ethylurea
CID 116656362
(2S)-2-hydroxy-4-[(3-methylcyclobutyl)carbamoylamino]butanoic acid
CID 107841041
(2S)-2-hydroxy-4-(piperidin-4-ylcarbamoylamino)butanoic acid
CID 107838707
4-(1-azabicyclo[2.2.2]octan-3-ylcarbamoylamino)-2-hydroxybutanoic acid
CID 114007130
(2S)-2-hydroxy-4-[(4-methylcycloheptyl)carbamoylamino]butanoic acid
CID 114101260
2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841461
(2S)-2-hydroxy-4-(thiolan-3-ylcarbamoylamino)butanoic acid
CID 107841463
(2S)-2-hydroxy-4-[(4-methylcyclohexyl)methylcarbamoylamino]butanoic acid
CID 114007496
6-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-methylheptanoic acid
CID 65289434

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid (CID 107840239) is 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid is CC1CCC(NC(=O)NCCC(O)C(=O)O)C1C.
What is the InChIKey of 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid?
The InChIKey is VIYLQVKQWAZJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-7-3-4-9(8(7)2)14-12(18)13-6-5-10(15)11(16)17/h7-10,15H,3-6H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid?
4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dimethylcyclopentyl)carbamoylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107840239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).