(3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride

C14H16ClNO2 — CID 71432857

IUPAC(3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride
SMILESC[C@@H](CC(=O)O)Nc1ccc2ccccc2c1.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-10(8-14(16)17)15-13-7-6-11-4-2-3-5-12(11)9-13;/h2-7,9-10,15H,8H2,1H3,(H,16,17);1H/t10-;/m0./s1
InChIKeyPAYZARLGWVEPPD-PPHPATTJSA-N
MW265.74 g/mol
LogP3.54
Rot. Bonds4

About (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride

(3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride (PubChem CID 71432857) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride
PubChem CID71432857
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name(3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride
SMILESC[C@@H](CC(=O)O)Nc1ccc2ccccc2c1.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-10(8-14(16)17)15-13-7-6-11-4-2-3-5-12(11)9-13;/h2-7,9-10,15H,8H2,1H3,(H,16,17);1H/t10-;/m0./s1
InChIKeyPAYZARLGWVEPPD-PPHPATTJSA-N
XLogP3.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylanilino)butanoic acid
CID 12999033
2-(naphthalen-2-ylamino)-N-propan-2-ylacetamide
CID 43398270
N-(3-methylbutyl)-2-(naphthalen-2-ylamino)propanamide
CID 43420253
(2S)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174375050
2-(naphthalen-2-ylamino)-N-prop-2-ynylpropanamide
CID 43420257
(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
CID 125470025
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
2-(naphthalen-2-ylamino)-N-propylpropanamide
CID 43401181
N-(2,6-dimethylheptan-4-yl)naphthalen-2-amine
CID 43680210
3-(3,5-dimethoxyanilino)butanoic acid
CID 43536666
3-[(6-methyl-3-pyridinyl)amino]butanoic acid
CID 170628757
1-naphthalen-2-yl-3-(1-phenylethyl)urea
CID 78400043

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride?
The IUPAC name of (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride (CID 71432857) is (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride.
What is the SMILES notation for (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride?
The canonical SMILES for (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride is C[C@@H](CC(=O)O)Nc1ccc2ccccc2c1.Cl.
What is the InChIKey of (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride?
The InChIKey is PAYZARLGWVEPPD-PPHPATTJSA-N. The full InChI is InChI=1S/C14H15NO2.ClH/c1-10(8-14(16)17)15-13-7-6-11-4-2-3-5-12(11)9-13;/h2-7,9-10,15H,8H2,1H3,(H,16,17);1H/t10-;/m0./s1.
What are the key properties of (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride?
(3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(naphthalen-2-ylamino)butanoic acid;hydrochloride is sourced from PubChem (CID 71432857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).