(3S)-3-amino-3-naphthalen-2-ylpropanoic acid

C13H13NO2 — CID 7016475

IUPAC(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
SMILESN[C@@H](CC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKeyJASNXOXPNZWQRV-LBPRGKRZSA-N
MW215.25 g/mol
LogP2.31
Rot. Bonds3

About (3S)-3-amino-3-naphthalen-2-ylpropanoic acid

(3S)-3-amino-3-naphthalen-2-ylpropanoic acid (PubChem CID 7016475) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3S)-3-amino-3-naphthalen-2-ylpropanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
PubChem CID7016475
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
SMILESN[C@@H](CC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKeyJASNXOXPNZWQRV-LBPRGKRZSA-N
XLogP2.31
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine
CID 142977536
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid
CID 82348137
3-amino-3-(3-amino-4-bromophenyl)propanoic acid
CID 117115837
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
2-(benzenesulfinyl)-1-naphthalen-2-ylethanamine
CID 64658254

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-naphthalen-2-ylpropanoic acid?
The IUPAC name of (3S)-3-amino-3-naphthalen-2-ylpropanoic acid (CID 7016475) is (3S)-3-amino-3-naphthalen-2-ylpropanoic acid.
What is the SMILES notation for (3S)-3-amino-3-naphthalen-2-ylpropanoic acid?
The canonical SMILES for (3S)-3-amino-3-naphthalen-2-ylpropanoic acid is N[C@@H](CC(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (3S)-3-amino-3-naphthalen-2-ylpropanoic acid?
The InChIKey is JASNXOXPNZWQRV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13NO2/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1.
What are the key properties of (3S)-3-amino-3-naphthalen-2-ylpropanoic acid?
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-naphthalen-2-ylpropanoic acid is sourced from PubChem (CID 7016475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).