2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid

C18H21NO2 — CID 82319684

IUPAC2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid
SMILESC=C(C)CN(CC(C)C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C18H21NO2/c1-13(2)11-19(12-14(3)18(20)21)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,14H,1,11-12H2,2-3H3,(H,20,21)
InChIKeyOPGYUCWFGDPAFG-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.94
Rot. Bonds6

About 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid

2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid (PubChem CID 82319684) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid
PubChem CID82319684
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid
SMILESC=C(C)CN(CC(C)C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C18H21NO2/c1-13(2)11-19(12-14(3)18(20)21)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,14H,1,11-12H2,2-3H3,(H,20,21)
InChIKeyOPGYUCWFGDPAFG-UHFFFAOYSA-N
XLogP3.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.94
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-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
CID 82318728
2-methyl-3-[3-methyl-N-(2-methylprop-2-enyl)anilino]propanoic acid
CID 82319662
3-[4-(dimethylamino)-N-(2-methylprop-2-enyl)anilino]-2-methylpropanoic acid
CID 82319683
3-[4-fluoro-N-(2-methylprop-2-enyl)anilino]-2-methylpropanoic acid
CID 82319647
3-[4-chloro-N-(2-methylprop-2-enyl)anilino]-2-methylpropanoic acid
CID 82319693
2-[amino(naphthalen-1-yl)amino]propanoic acid
CID 68905230
3-[1,3-benzodioxol-5-yl(2-methylprop-2-enyl)amino]-2-methylpropanoic acid
CID 82319649
(2S)-1-[ethyl(naphthalen-1-yl)amino]propan-2-ol
CID 103934919
3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
CID 65060972
(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
CID 125045111
potassium 3-[ethyl(naphthalen-1-yl)amino]prop-1-en-2-yl-trifluoroboranuide
CID 106745593
1,3-dimethyl-1-naphthalen-1-yl-3-[(1S)-1-phenylethyl]urea
CID 102087616

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid (CID 82319684) is 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid is C=C(C)CN(CC(C)C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid?
The InChIKey is OPGYUCWFGDPAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13(2)11-19(12-14(3)18(20)21)17-10-6-8-15-7-4-5-9-16(15)17/h4-10,14H,1,11-12H2,2-3H3,(H,20,21).
What are the key properties of 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid?
2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-methylprop-2-enyl(naphthalen-1-yl)amino]propanoic acid is sourced from PubChem (CID 82319684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).