3-(methylamino)-3-naphthalen-2-ylbutanoic acid

C15H17NO2 — CID 65236663

IUPAC3-(methylamino)-3-naphthalen-2-ylbutanoic acid
SMILESCNC(C)(CC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-15(16-2,10-14(17)18)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,16H,10H2,1-2H3,(H,17,18)
InChIKeySLAPSJCIPURYBR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.75
Rot. Bonds4

About 3-(methylamino)-3-naphthalen-2-ylbutanoic acid

3-(methylamino)-3-naphthalen-2-ylbutanoic acid (PubChem CID 65236663) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(methylamino)-3-naphthalen-2-ylbutanoic acid.

Molecular Properties

Compound Name3-(methylamino)-3-naphthalen-2-ylbutanoic acid
PubChem CID65236663
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(methylamino)-3-naphthalen-2-ylbutanoic acid
SMILESCNC(C)(CC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-15(16-2,10-14(17)18)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,16H,10H2,1-2H3,(H,17,18)
InChIKeySLAPSJCIPURYBR-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyano-3-naphthalen-2-ylpentanedioic acid
CID 18333565
3-(ethylamino)-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 65234037
3-(ethylamino)-3-naphthalen-2-ylbutan-1-ol
CID 65240126
3-methyl-3-(naphthalene-2-carbonylamino)butanoic acid
CID 64672120
4-[[benzyl(hydroxy)phosphoryl]amino]-4-naphthalen-2-ylpentanoic acid
CID 54064649
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
2-methyl-2-naphthalen-2-yl-3-phenylpropanoyl chloride
CID 117048269
2-benzamido-2-naphthalen-2-ylpropanoic acid
CID 156695246
(2R)-2-hydroxy-2-naphthalen-2-ylpropanal
CID 122375981
methyl (2R)-2-amino-2-naphthalen-2-ylpropanoate
CID 90757177
2,2-difluoro-3-hydroxy-3-naphthalen-2-ylbutanoic acid
CID 62398445
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-naphthalen-2-ylbutanoic acid?
The IUPAC name of 3-(methylamino)-3-naphthalen-2-ylbutanoic acid (CID 65236663) is 3-(methylamino)-3-naphthalen-2-ylbutanoic acid.
What is the SMILES notation for 3-(methylamino)-3-naphthalen-2-ylbutanoic acid?
The canonical SMILES for 3-(methylamino)-3-naphthalen-2-ylbutanoic acid is CNC(C)(CC(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of 3-(methylamino)-3-naphthalen-2-ylbutanoic acid?
The InChIKey is SLAPSJCIPURYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(16-2,10-14(17)18)13-8-7-11-5-3-4-6-12(11)9-13/h3-9,16H,10H2,1-2H3,(H,17,18).
What are the key properties of 3-(methylamino)-3-naphthalen-2-ylbutanoic acid?
3-(methylamino)-3-naphthalen-2-ylbutanoic acid has a molecular weight of 243.31 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-naphthalen-2-ylbutanoic acid is sourced from PubChem (CID 65236663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).