2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid

C13H17NO2 — CID 114988664

IUPAC2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
SMILESCC(Cc1ccccc1)(NC1CC1)C(=O)O
InChIInChI=1S/C13H17NO2/c1-13(12(15)16,14-11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16)
InChIKeyZNKCKJLDJMLPQZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.82
Rot. Bonds5

About 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid

2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid (PubChem CID 114988664) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
PubChem CID114988664
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid
SMILESCC(Cc1ccccc1)(NC1CC1)C(=O)O
InChIInChI=1S/C13H17NO2/c1-13(12(15)16,14-11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16)
InChIKeyZNKCKJLDJMLPQZ-UHFFFAOYSA-N
XLogP1.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylalanine
CID 6140
Nateglinide
CID 5311309
Dl-Phenylalanine
CID 994
D-Phenylalanine
CID 71567
N-Acetyl-L-phenylalanine
CID 74839
L-Phenylalanyl-L-phenylalanine
CID 6993090
L-Phenylalanyl-L-alanine
CID 5488196
Afalanine
CID 2000
gamma-L-Glutamyl-L-phenylalanine
CID 111299
Leu-phe
CID 6992310
DL-alpha-Methylphenylalanine
CID 108055
L-alanyl-L-phenylalanine
CID 96814

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid (CID 114988664) is 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid is CC(Cc1ccccc1)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid?
The InChIKey is ZNKCKJLDJMLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(12(15)16,14-11-7-8-11)9-10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,16).
What are the key properties of 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid?
2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 114988664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).