2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid

C16H23NO2 — CID 106662453

IUPAC2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
SMILESCC1CC(C)(C)CC1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-11-9-16(2,3)10-13(11)17-14(15(18)19)12-7-5-4-6-8-12/h4-8,11,13-14,17H,9-10H2,1-3H3,(H,18,19)
InChIKeyNWYLLJJZFUBWHY-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.23
Rot. Bonds4

About 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid

2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid (PubChem CID 106662453) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
PubChem CID106662453
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid
SMILESCC1CC(C)(C)CC1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-11-9-16(2,3)10-13(11)17-14(15(18)19)12-7-5-4-6-8-12/h4-8,11,13-14,17H,9-10H2,1-3H3,(H,18,19)
InChIKeyNWYLLJJZFUBWHY-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]ethanol
CID 107093789
N-(2,2-dimethyl-1-phenylpropyl)-2,4,4-trimethylcyclopentan-1-amine
CID 106661950
2,4,4-trimethyl-N-(1-phenylpropyl)cyclopentan-1-amine
CID 106662456
2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-phenylacetic acid
CID 112633963
3-methyl-2-[(2,4,4-trimethylcyclopentyl)amino]butanoic acid
CID 106662418
2-[(2-hydroxycyclopentyl)amino]-2-phenylacetic acid
CID 55036450
N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661502
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
2-phenyl-2-(8-tricyclo[5.2.1.02,6]decanylamino)acetic acid
CID 62110993
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851
2-[[2-(hydroxymethyl)cyclohexyl]amino]-2-phenylacetic acid
CID 114178847
2-[(4-methylcycloheptyl)amino]-2-phenylacetic acid
CID 65080241

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid?
The IUPAC name of 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid (CID 106662453) is 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid?
The canonical SMILES for 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid is CC1CC(C)(C)CC1NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid?
The InChIKey is NWYLLJJZFUBWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11-9-16(2,3)10-13(11)17-14(15(18)19)12-7-5-4-6-8-12/h4-8,11,13-14,17H,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid?
2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid has a molecular weight of 261.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(2,4,4-trimethylcyclopentyl)amino]acetic acid is sourced from PubChem (CID 106662453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).