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

C12H23NO2 — CID 79870141

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC1CCCC1(C)C)C(=O)O
InChIInChI=1S/C12H23NO2/c1-11(2)7-5-6-9(11)13-8-12(3,4)10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyFJBHCUVGSCOSRC-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.27
Rot. Bonds4

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

3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 79870141) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid
PubChem CID79870141
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC1CCCC1(C)C)C(=O)O
InChIInChI=1S/C12H23NO2/c1-11(2)7-5-6-9(11)13-8-12(3,4)10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15)
InChIKeyFJBHCUVGSCOSRC-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200
4-[(2,2-dimethylcyclopentyl)carbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 79877770
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2,2-dimethylpropanoic acid
CID 114629404
2,2-dimethyl-N-(2-methyl-2-phenylpropyl)cyclopentan-1-amine
CID 79859879
4-[(2,2-dimethylcyclopentyl)amino]butan-2-one
CID 145476658
3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79871536
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163
2,2-dimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
CID 103529444
2-cyclopropyl-2-[(2,2-dimethylcyclopentyl)carbamoylamino]propanoic acid
CID 79878699
3-[(2,2-dimethylcyclopentyl)amino]-3-oxopropanoic acid
CID 79873237
4-[[(2,2-dimethylcyclopentyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499567
2,2-dimethyl-4-(spiro[4.5]decan-4-ylamino)butanoic acid
CID 122084464

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid (CID 79870141) is 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC1CCCC1(C)C)C(=O)O.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is FJBHCUVGSCOSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)7-5-6-9(11)13-8-12(3,4)10(14)15/h9,13H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid?
3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-dimethylcyclopentyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 79870141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).