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

C18H23NO2 — CID 84751600

IUPAC3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid
SMILESCCC(Cc1cccc2ccccc12)N(C)CCC(=O)O
InChIInChI=1S/C18H23NO2/c1-3-16(19(2)12-11-18(20)21)13-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16H,3,11-13H2,1-2H3,(H,20,21)
InChIKeyBRXNTHZSYZYXSY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.57
Rot. Bonds7

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

3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid (PubChem CID 84751600) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid
PubChem CID84751600
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid
SMILESCCC(Cc1cccc2ccccc12)N(C)CCC(=O)O
InChIInChI=1S/C18H23NO2/c1-3-16(19(2)12-11-18(20)21)13-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16H,3,11-13H2,1-2H3,(H,20,21)
InChIKeyBRXNTHZSYZYXSY-UHFFFAOYSA-N
XLogP3.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[methyl-(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 60989846
3-[1-(2,5-dimethoxyphenyl)butan-2-yl-methylamino]propanoic acid
CID 84751599
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
CID 66644807
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726
N-[2-(dimethylamino)ethyl]-2-methyl-3-naphthalen-1-ylpropanamide
CID 18917772
(3R)-3-acetamido-4-naphthalen-1-ylbutanoic acid
CID 166000608
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
(2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid
CID 68732827
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
azane;1-ethylnaphthalene
CID 19048185
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid (CID 84751600) is 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid is CCC(Cc1cccc2ccccc12)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid?
The InChIKey is BRXNTHZSYZYXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-3-16(19(2)12-11-18(20)21)13-15-9-6-8-14-7-4-5-10-17(14)15/h4-10,16H,3,11-13H2,1-2H3,(H,20,21).
What are the key properties of 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid?
3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid has a molecular weight of 285.39 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid is sourced from PubChem (CID 84751600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).