2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid

C13H25NO2 — CID 69268124

IUPAC2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
SMILESCCC(CC1CCCCC1)C(CN)C(=O)O
InChIInChI=1S/C13H25NO2/c1-2-11(12(9-14)13(15)16)8-10-6-4-3-5-7-10/h10-12H,2-9,14H2,1H3,(H,15,16)
InChIKeyYPRKIJWEXHZMIJ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.64
Rot. Bonds6

About 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid

2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid (PubChem CID 69268124) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
PubChem CID69268124
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid
SMILESCCC(CC1CCCCC1)C(CN)C(=O)O
InChIInChI=1S/C13H25NO2/c1-2-11(12(9-14)13(15)16)8-10-6-4-3-5-7-10/h10-12H,2-9,14H2,1H3,(H,15,16)
InChIKeyYPRKIJWEXHZMIJ-UHFFFAOYSA-N
XLogP2.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
N-[(2S)-1-aminopropan-2-yl]-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 120505210
(2S)-2-[(S)-cyclohexyl(hydroxy)methyl]butanoic acid
CID 94426880
[(2S,3R)-1-cyclohexyl-5-ethyl-3,4-dihydroxyheptan-2-yl]carbamic acid
CID 70055412
(2-ethyl-3-methylpentyl)cyclohexane
CID 91213059
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
[(2S)-1-amino-3-cyclohexylpropan-2-yl]-(2-methylbutan-2-yl)carbamic acid
CID 174639349
(2R)-2-[2-(cyclohexylmethyl)butanoylamino]propanoic acid
CID 119244683
2-amino-3-cyclohexylpropanoic acid;2-amino-4,4-dimethylpentanoic acid
CID 175070006
(2S)-3-cyclohexyl-2-(propylamino)propanoic acid
CID 175818712
N-(3-amino-2-methylpropyl)-2-(cyclohexylmethyl)butanamide;hydrochloride
CID 119996125

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid?
The IUPAC name of 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid (CID 69268124) is 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid is CCC(CC1CCCCC1)C(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid?
The InChIKey is YPRKIJWEXHZMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-2-11(12(9-14)13(15)16)8-10-6-4-3-5-7-10/h10-12H,2-9,14H2,1H3,(H,15,16).
What are the key properties of 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid?
2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid has a molecular weight of 227.35 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(cyclohexylmethyl)pentanoic acid is sourced from PubChem (CID 69268124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).