2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid

C13H17NO2 — CID 70010051

IUPAC2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
SMILESC=CCN(C)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-10-14(3)13(2,12(15)16)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,15,16)
InChIKeyYVOOSHWUGZPWGQ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.10
Rot. Bonds5

About 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid

2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid (PubChem CID 70010051) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
PubChem CID70010051
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid
SMILESC=CCN(C)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-4-10-14(3)13(2,12(15)16)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,15,16)
InChIKeyYVOOSHWUGZPWGQ-UHFFFAOYSA-N
XLogP2.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[methyl(2-methylpropyl)amino]-2-phenylpropanoic acid
CID 114992186
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
2-[bis(prop-2-enyl)carbamoylamino]-2-phenylpropanoic acid
CID 62489576
2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 114992793
2-[(2-methyl-2-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 79265157
3-[bis(prop-2-enyl)sulfamoylamino]-2-methyl-2-phenylpropanoic acid
CID 167947987
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470
phenyl N-methyl-N-prop-2-enylcarbamate
CID 66595557
2-[methyl(phenylmethoxycarbonyl)amino]-2-phenylpropanoic acid
CID 67917348
3-[bis(prop-2-enyl)amino]-2-methyl-2-phenylpropanal
CID 62276195
N-ethyl-N-methyl-2-phenylpent-4-en-2-amine
CID 174778712

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid (CID 70010051) is 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid is C=CCN(C)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid?
The InChIKey is YVOOSHWUGZPWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-10-14(3)13(2,12(15)16)11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,15,16).
What are the key properties of 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid?
2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-2-enyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 70010051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).