(3S)-3-amino-4-naphthalen-2-ylbutanoic acid

C14H15NO2 — CID 2761622

IUPAC(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
SMILESN[C@H](CC(=O)O)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1
InChIKeyWSVMIVFELRCSPA-ZDUSSCGKSA-N
MW229.28 g/mol
LogP2.18
Rot. Bonds4

About (3S)-3-amino-4-naphthalen-2-ylbutanoic acid

(3S)-3-amino-4-naphthalen-2-ylbutanoic acid (PubChem CID 2761622) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (3S)-3-amino-4-naphthalen-2-ylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
PubChem CID2761622
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
SMILESN[C@H](CC(=O)O)Cc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1
InChIKeyWSVMIVFELRCSPA-ZDUSSCGKSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (3S)-3-amino-4-naphthalen-2-ylbutanoate
CID 166000692
(2S)-3-naphthalen-2-ylpropane-1,2-diamine
CID 68655255
(3S)-4-naphthalen-2-yl-3-[(2-phenylacetyl)amino]butanoic acid
CID 67360770
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
1-(4-iodophenyl)-3-naphthalen-2-ylpropan-2-amine
CID 105151939
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
3-amino-4-(2,3-dihydro-1H-inden-5-yl)butanoic acid
CID 82350821
(2R)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-phenylpropanoic acid
CID 175787823
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-naphthalen-2-ylbutanoic acid?
The IUPAC name of (3S)-3-amino-4-naphthalen-2-ylbutanoic acid (CID 2761622) is (3S)-3-amino-4-naphthalen-2-ylbutanoic acid.
What is the SMILES notation for (3S)-3-amino-4-naphthalen-2-ylbutanoic acid?
The canonical SMILES for (3S)-3-amino-4-naphthalen-2-ylbutanoic acid is N[C@H](CC(=O)O)Cc1ccc2ccccc2c1.
What is the InChIKey of (3S)-3-amino-4-naphthalen-2-ylbutanoic acid?
The InChIKey is WSVMIVFELRCSPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H15NO2/c15-13(9-14(16)17)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13H,8-9,15H2,(H,16,17)/t13-/m0/s1.
What are the key properties of (3S)-3-amino-4-naphthalen-2-ylbutanoic acid?
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-naphthalen-2-ylbutanoic acid is sourced from PubChem (CID 2761622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).