2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid

C14H19NO2 — CID 115000696

IUPAC2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid
SMILESCC(NC1CC1(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-13(2)9-11(13)15-14(3,12(16)17)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,16,17)
InChIKeyBMAMUWCAVDBCOW-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.37
Rot. Bonds4

About 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid

2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid (PubChem CID 115000696) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid
PubChem CID115000696
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid
SMILESCC(NC1CC1(C)C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-13(2)9-11(13)15-14(3,12(16)17)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,16,17)
InChIKeyBMAMUWCAVDBCOW-UHFFFAOYSA-N
XLogP2.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methylphenylalanine
CID 6951135
2-(Methylamino)-3-phenylpropanoic acid
CID 4657542
2-Amino-2-phenylbutyric acid
CID 89317
(2S)-2-amino-2-phenylpropanoic acid
CID 853461
(2S)-2-amino-2-(2-methylphenyl)acetic acid
CID 1501939
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
L-leucine,n-(triphenylmethyl)-
CID 270298
2-Amino-2-phenylpropanoic acid
CID 31722
N-Acetyl-DL-phenylglycine
CID 85935
(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-phenylacetic acid
CID 2755953
2-amino-2-(4-methylphenyl)acetic Acid
CID 5152152
(2S)-2-(((tert-butoxy)carbonyl)amino)-2-phenylacetic acid
CID 11010409

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid (CID 115000696) is 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid is CC(NC1CC1(C)C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid?
The InChIKey is BMAMUWCAVDBCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-13(2)9-11(13)15-14(3,12(16)17)10-7-5-4-6-8-10/h4-8,11,15H,9H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid?
2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopropyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 115000696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).