3-cyclopentyl-3-(propan-2-ylamino)propanoic acid

C11H21NO2 — CID 83637719

IUPAC3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H21NO2/c1-8(2)12-10(7-11(13)14)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyIIVUEZLPNYZLMR-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.02
Rot. Bonds5

About 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid

3-cyclopentyl-3-(propan-2-ylamino)propanoic acid (PubChem CID 83637719) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
PubChem CID83637719
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
SMILESCC(C)NC(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H21NO2/c1-8(2)12-10(7-11(13)14)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyIIVUEZLPNYZLMR-UHFFFAOYSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
CID 81385050
(1S)-1-cyclohexyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 59085001
3-cyclobutylbutanoic acid
CID 82594402
(3S)-3-cyclobutylbutanoic acid
CID 96733267
3-[[(2S)-2-aminopentanoyl]amino]-3-cyclopropylpropanoic acid
CID 103870481
4-amino-3-cyclopentylpentanoic acid
CID 66096453
3-cyclohexyl-3-fluoropropanoic acid
CID 105435814
N-(2-amino-1-cyclopentylethyl)-3-methylbutanamide
CID 106737373
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
2-bromo-N-(1-cyclohexylpropyl)propanamide
CID 107905149
3-amino-4-cyclopentyl-5-methylhexanoic acid
CID 83909854
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid?
The IUPAC name of 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid (CID 83637719) is 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid.
What is the SMILES notation for 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid?
The canonical SMILES for 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid is CC(C)NC(CC(=O)O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid?
The InChIKey is IIVUEZLPNYZLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)12-10(7-11(13)14)9-5-3-4-6-9/h8-10,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid?
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(propan-2-ylamino)propanoic acid is sourced from PubChem (CID 83637719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).