3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid

C11H21NO2 — CID 106661765

IUPAC3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
SMILESCC1CC(C)(C)CC1NCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-8-6-11(2,3)7-9(8)12-5-4-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyNXVVRPKRSHEUOZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds4

About 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid

3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid (PubChem CID 106661765) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
PubChem CID106661765
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid
SMILESCC1CC(C)(C)CC1NCCC(=O)O
InChIInChI=1S/C11H21NO2/c1-8-6-11(2,3)7-9(8)12-5-4-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)
InChIKeyNXVVRPKRSHEUOZ-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

3-[(2-methylcyclopropyl)amino]propanoic acid
CID 62398720
6-[(2,4,4-trimethylcyclopentyl)amino]hexan-1-ol
CID 106813241
2,4,4-trimethyl-N-(3-methylbutyl)cyclopentan-1-amine
CID 106661565
3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoic acid
CID 112681935
N-[2-[[(1S,2S)-2,4,4-trimethylcyclopentyl]amino]ethyl]methanesulfonamide
CID 99836162
2-ethyl-2-[[(2,4,4-trimethylcyclopentyl)amino]methyl]butanoic acid
CID 122128443
2,4,4-trimethyl-N-(3-methylsulfinylpropyl)cyclopentan-1-amine
CID 106662803
N-propan-2-yl-2-[[(1R,2S)-2,4,4-trimethylcyclopentyl]amino]ethanesulfonamide
CID 99838091
N'-ethyl-N'-methyl-N-(2,4,4-trimethylcyclopentyl)ethane-1,2-diamine
CID 106662472
N-[2-[(2,4,4-trimethylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 154739109
2,4,4-trimethyl-N-(3-phenoxypropyl)cyclopentan-1-amine
CID 106662463
2,4,4-trimethyl-N-(2-methylcyclopropyl)cyclopentan-1-amine
CID 106662465

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid?
The IUPAC name of 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid (CID 106661765) is 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid?
The canonical SMILES for 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid is CC1CC(C)(C)CC1NCCC(=O)O.
What is the InChIKey of 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid?
The InChIKey is NXVVRPKRSHEUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8-6-11(2,3)7-9(8)12-5-4-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid?
3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4,4-trimethylcyclopentyl)amino]propanoic acid is sourced from PubChem (CID 106661765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).