4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid

C11H20N2O4 — CID 55173209

IUPAC4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
SMILESCC1CCCC1NC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7-3-2-4-8(7)12-11(17)13-9(5-6-14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyQEFLBVJTRCZGDT-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.31
Rot. Bonds5

About 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid

4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid (PubChem CID 55173209) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
PubChem CID55173209
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
SMILESCC1CCCC1NC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7-3-2-4-8(7)12-11(17)13-9(5-6-14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyQEFLBVJTRCZGDT-UHFFFAOYSA-N
XLogP0.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 107827757
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
(2R)-2-[(2,4-dimethylcyclohexyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107827924
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
(2R)-2-(cycloheptylcarbamoylamino)-4-hydroxybutanoic acid
CID 114005381
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
(2S)-2-[[(1R,2R)-2-methylcyclohexyl]carbamoylamino]-3-phenylpropanoic acid
CID 943588
(2R)-4-hydroxy-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)butanoic acid
CID 107828477
(2R)-3,3-dimethyl-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid
CID 103928020
2-(1-cyclopropylethylcarbamoylamino)-4-hydroxybutanoic acid
CID 61230073
3-(1H-imidazol-5-yl)-2-[(2-methylcyclopentyl)carbamoylamino]propanoic acid
CID 63279588

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid (CID 55173209) is 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid is CC1CCCC1NC(=O)NC(CCO)C(=O)O.
What is the InChIKey of 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid?
The InChIKey is QEFLBVJTRCZGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7-3-2-4-8(7)12-11(17)13-9(5-6-14)10(15)16/h7-9,14H,2-6H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid?
4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]butanoic acid is sourced from PubChem (CID 55173209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).