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

C16H23NO2 — CID 79861761

IUPAC3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
SMILESCC1(C)CCCC1NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2)10-6-9-14(16)17-11-13(15(18)19)12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3,(H,18,19)
InChIKeyHQYVQEZNYHYMBO-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.02
Rot. Bonds5

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

3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid (PubChem CID 79861761) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
PubChem CID79861761
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
SMILESCC1(C)CCCC1NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2)10-6-9-14(16)17-11-13(15(18)19)12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3,(H,18,19)
InChIKeyHQYVQEZNYHYMBO-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,2-dimethylcyclopentanecarbonyl)amino]-2-phenylpropanoic acid
CID 107175424
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746
1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79860860
N-benzyl-2-[(2,2-dimethylcyclopentyl)amino]acetamide
CID 79859713
2-cyano-N-(2,2-dimethylcyclopentyl)-2-phenylacetamide
CID 79878391
2-[(2,2-dimethylcyclopentyl)amino]acetic acid
CID 79865200
3-[(4-methyloxan-4-yl)amino]-2-phenylpropanoic acid
CID 113491071
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
2-[(2,2-dimethylcyclopentyl)amino]-1-thiophen-2-ylethanol
CID 79861440
3-(cyclopropylmethylamino)-2-phenylpropanoic acid
CID 64565407

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid (CID 79861761) is 3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid is CC1(C)CCCC1NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid?
The InChIKey is HQYVQEZNYHYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2)10-6-9-14(16)17-11-13(15(18)19)12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,6,9-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid?
3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid has a molecular weight of 261.36 g/mol, XLogP of 3.02, 5 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-phenylpropanoic acid is sourced from PubChem (CID 79861761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).