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

C13H24N2O4 — CID 80540968

IUPAC4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
SMILESCC(CCNC(=O)NCCOC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-10(12(16)17)6-7-14-13(18)15-8-9-19-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyPVMNEXDRFGGGJR-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.36
Rot. Bonds8

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

4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid (PubChem CID 80540968) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
PubChem CID80540968
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
SMILESCC(CCNC(=O)NCCOC1CCCC1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-10(12(16)17)6-7-14-13(18)15-8-9-19-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyPVMNEXDRFGGGJR-UHFFFAOYSA-N
XLogP1.36
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2-cyclohexyloxyethylcarbamoylamino)propanoic acid
CID 78952396
2-[(2-cyclohexyloxyethylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65226521
2-[(2-cyclopentyloxyethylcarbamoylamino)methyl]pentanoic acid
CID 65226423
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
(2S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylbutanoic acid
CID 63834422
(2S,3S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylpentanoic acid
CID 63834591
2-(2-cyclohexyloxyethylcarbamoylamino)-3-methoxypropanoic acid
CID 81081378
1-(2-cyclohexyloxyethyl)-3-methylurea
CID 115588478
3-[2-cyclopentyloxyethylcarbamoyl(ethyl)amino]-2-methylpropanoic acid
CID 63834760
(2R)-2-amino-N-(2-cycloheptyloxyethyl)propanamide;hydrochloride
CID 119325372
4-(2-butoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80541936
4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
CID 63039120

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid (CID 80540968) is 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid is CC(CCNC(=O)NCCOC1CCCC1)C(=O)O.
What is the InChIKey of 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid?
The InChIKey is PVMNEXDRFGGGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(12(16)17)6-7-14-13(18)15-8-9-19-11-4-2-3-5-11/h10-11H,2-9H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid?
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid is sourced from PubChem (CID 80540968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).