4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid

C13H24N2O5 — CID 66002250

IUPAC4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)NCCOC1CCCC1)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-13(19,8-11(16)17)9-15-12(18)14-6-7-20-10-4-2-3-5-10/h10,19H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFKEQFVMYQGZRAK-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.47
Rot. Bonds8

About 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid

4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid (PubChem CID 66002250) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
PubChem CID66002250
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)NCCOC1CCCC1)CC(=O)O
InChIInChI=1S/C13H24N2O5/c1-13(19,8-11(16)17)9-15-12(18)14-6-7-20-10-4-2-3-5-10/h10,19H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyFKEQFVMYQGZRAK-UHFFFAOYSA-N
XLogP0.47
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclohexyloxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225931
3-(3-cyclohexyloxypropylcarbamoylamino)-2,2-dimethylpropanamide
CID 56814193
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 63832113
1-(2-cycloheptyloxyethyl)-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111428431
3-hydroxy-3-methyl-4-(2-methylsulfonylethylcarbamoylamino)butanoic acid
CID 66001615
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
2-[[2-(2-cyclohexyloxyethylcarbamoylamino)acetyl]amino]acetic acid
CID 63832822
N-(2-cyclohexyloxyethyl)-2,2-dimethylpropanamide
CID 61149982
2-[(2-cyclohexyloxyethylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65226521
3-hydroxy-3-methyl-4-(thian-2-ylmethylcarbamoylamino)butanoic acid
CID 80612988
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 66001000

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid (CID 66002250) is 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)NCCOC1CCCC1)CC(=O)O.
What is the InChIKey of 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
The InChIKey is FKEQFVMYQGZRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-13(19,8-11(16)17)9-15-12(18)14-6-7-20-10-4-2-3-5-10/h10,19H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid?
4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.47, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxyethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66002250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).