3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid

C12H23NO2 — CID 81385050

IUPAC3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
SMILESCC(CC(=O)O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(8-12(14)15)13-10(2)11-6-4-3-5-7-11/h9-11,13H,3-8H2,1-2H3,(H,14,15)/t9?,10-/m1/s1
InChIKeyLQTYRTNULGTXNH-QVDQXJPCSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds5

About 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid

3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid (PubChem CID 81385050) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
PubChem CID81385050
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
SMILESCC(CC(=O)O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-9(8-12(14)15)13-10(2)11-6-4-3-5-7-11/h9-11,13H,3-8H2,1-2H3,(H,14,15)/t9?,10-/m1/s1
InChIKeyLQTYRTNULGTXNH-QVDQXJPCSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-[[(1R)-1-cycloheptylethyl]amino]butanoate
CID 81391748
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
(2R)-2-(1-cyclopentylethylamino)propan-1-ol
CID 114987079
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
2-[[(1S)-1-cycloheptylethyl]amino]butanoic acid
CID 81392114
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
2-[[(1R)-1-cycloheptylethyl]amino]butanoic acid
CID 81392766
2-(1-cyclohexylethylamino)-N-pentan-3-ylpropanamide
CID 62405918
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
N-[(1R)-1-cycloheptylethyl]-1-ethylsulfonylpropan-2-amine
CID 104584284

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid?
The IUPAC name of 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid (CID 81385050) is 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid.
What is the SMILES notation for 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid?
The canonical SMILES for 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid is CC(CC(=O)O)N[C@H](C)C1CCCCC1.
What is the InChIKey of 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid?
The InChIKey is LQTYRTNULGTXNH-QVDQXJPCSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(8-12(14)15)13-10(2)11-6-4-3-5-7-11/h9-11,13H,3-8H2,1-2H3,(H,14,15)/t9?,10-/m1/s1.
What are the key properties of 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid?
3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid is sourced from PubChem (CID 81385050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).