4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid

C12H23NO3 — CID 63039120

IUPAC4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(CCOC1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-9(2)13-11(12(14)15)7-8-16-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCABFBRKYYWYCEA-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.79
Rot. Bonds7

About 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid

4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid (PubChem CID 63039120) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
PubChem CID63039120
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid
SMILESCC(C)NC(CCOC1CCCC1)C(=O)O
InChIInChI=1S/C12H23NO3/c1-9(2)13-11(12(14)15)7-8-16-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCABFBRKYYWYCEA-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methylcyclohexyl)oxy-2-(propan-2-ylamino)butanoic acid
CID 55143185
methyl 4-cycloheptyloxy-2-(propan-2-ylamino)butanoate
CID 55143758
methyl 4-(4,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 114342050
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968
methyl 4-cyclopentyloxy-2-(cyclopropylamino)butanoate
CID 63041385
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349
4-(2-butoxyethoxy)-2-(propan-2-ylamino)butanoic acid
CID 63041335
ethyl 4-cyclohexyloxy-2-(methylamino)butanoate
CID 55142810
4-cycloheptyloxy-2-(ethylamino)butanamide
CID 63040361
(2S)-3-cyclohexyloxy-2-(methylamino)propanoic acid
CID 177277401
ethyl 4-(3,4-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)butanoate
CID 64745772

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid (CID 63039120) is 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid is CC(C)NC(CCOC1CCCC1)C(=O)O.
What is the InChIKey of 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid?
The InChIKey is CABFBRKYYWYCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)13-11(12(14)15)7-8-16-10-5-3-4-6-10/h9-11,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid?
4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63039120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).