3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid

C12H23NO2 — CID 79396885

IUPAC3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid
SMILESCC1CCC(NC(C)C(C)C(=O)O)C1C
InChIInChI=1S/C12H23NO2/c1-7-5-6-11(8(7)2)13-10(4)9(3)12(14)15/h7-11,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyNVSSFRWNKIRTQS-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.12
Rot. Bonds4

About 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid

3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid (PubChem CID 79396885) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid
PubChem CID79396885
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid
SMILESCC1CCC(NC(C)C(C)C(=O)O)C1C
InChIInChI=1S/C12H23NO2/c1-7-5-6-11(8(7)2)13-10(4)9(3)12(14)15/h7-11,13H,5-6H2,1-4H3,(H,14,15)
InChIKeyNVSSFRWNKIRTQS-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-[(2-methyloxolan-3-yl)amino]butanoic acid
CID 82725687
2-[(2,3-dimethylcyclopentyl)amino]-3-methoxypropanoic acid
CID 103254755
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496143
3-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylbutanoic acid
CID 106360781
3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutan-2-ol
CID 65337535
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 64923423
2-amino-3-[(2,3-dimethylcyclopentyl)amino]propanoic acid
CID 64922286
2-amino-N-(2,3-dimethylcyclopentyl)propanamide
CID 64909126
N-(2,3-dimethylcyclopentyl)acetamide
CID 64922482
2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103230437
(2S)-2-amino-N-(2,3-dimethylcyclopentyl)-3-methylbutanamide
CID 64907207
2,3-dimethyl-N-(5-methylhexan-2-yl)cyclopentan-1-amine
CID 64907140

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid?
The IUPAC name of 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid (CID 79396885) is 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid is CC1CCC(NC(C)C(C)C(=O)O)C1C.
What is the InChIKey of 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid?
The InChIKey is NVSSFRWNKIRTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-7-5-6-11(8(7)2)13-10(4)9(3)12(14)15/h7-11,13H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid?
3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclopentyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 79396885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).