4-(cyclopentylmethylamino)-2-methylbutanoic acid

C11H21NO2 — CID 115220780

IUPAC4-(cyclopentylmethylamino)-2-methylbutanoic acid
SMILESCC(CCNCC1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO2/c1-9(11(13)14)6-7-12-8-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyMBCVVDYGSHGKDA-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds6

About 4-(cyclopentylmethylamino)-2-methylbutanoic acid

4-(cyclopentylmethylamino)-2-methylbutanoic acid (PubChem CID 115220780) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-(cyclopentylmethylamino)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-(cyclopentylmethylamino)-2-methylbutanoic acid
PubChem CID115220780
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-(cyclopentylmethylamino)-2-methylbutanoic acid
SMILESCC(CCNCC1CCCC1)C(=O)O
InChIInChI=1S/C11H21NO2/c1-9(11(13)14)6-7-12-8-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyMBCVVDYGSHGKDA-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclobutylmethylamino)-2-methylbutanoic acid
CID 115220789
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
2-amino-4-(cyclopentylmethylamino)butanoic acid
CID 115241244
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
4-(ethylamino)-2-methylbutanoic acid
CID 54099328
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220913
N-(cyclohexylmethyl)-3,3-dimethoxypropan-1-amine
CID 89099495
N-(cyclohexylmethyl)-4-methylpentan-1-amine
CID 60743779
4-(2-cyclopentyloxyethylcarbamoylamino)-2-methylbutanoic acid
CID 80540968

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethylamino)-2-methylbutanoic acid?
The IUPAC name of 4-(cyclopentylmethylamino)-2-methylbutanoic acid (CID 115220780) is 4-(cyclopentylmethylamino)-2-methylbutanoic acid.
What is the SMILES notation for 4-(cyclopentylmethylamino)-2-methylbutanoic acid?
The canonical SMILES for 4-(cyclopentylmethylamino)-2-methylbutanoic acid is CC(CCNCC1CCCC1)C(=O)O.
What is the InChIKey of 4-(cyclopentylmethylamino)-2-methylbutanoic acid?
The InChIKey is MBCVVDYGSHGKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(11(13)14)6-7-12-8-10-4-2-3-5-10/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-(cyclopentylmethylamino)-2-methylbutanoic acid?
4-(cyclopentylmethylamino)-2-methylbutanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethylamino)-2-methylbutanoic acid is sourced from PubChem (CID 115220780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).