(2S)-2-(naphthalen-2-ylamino)pentanoic acid

C15H17NO2 — CID 174375050

IUPAC(2S)-2-(naphthalen-2-ylamino)pentanoic acid
SMILESCCC[C@H](Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO2/c1-2-5-14(15(17)18)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14,16H,2,5H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyAAVBEPSGOVTOLF-AWEZNQCLSA-N
MW243.31 g/mol
LogP3.51
Rot. Bonds5

About (2S)-2-(naphthalen-2-ylamino)pentanoic acid

(2S)-2-(naphthalen-2-ylamino)pentanoic acid (PubChem CID 174375050) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-2-(naphthalen-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(naphthalen-2-ylamino)pentanoic acid
PubChem CID174375050
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(2S)-2-(naphthalen-2-ylamino)pentanoic acid
SMILESCCC[C@H](Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H17NO2/c1-2-5-14(15(17)18)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14,16H,2,5H2,1H3,(H,17,18)/t14-/m0/s1
InChIKeyAAVBEPSGOVTOLF-AWEZNQCLSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-anilinopentanoic acid
CID 22847649
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419
5-(diaminomethylideneamino)-2-(naphthalen-2-ylamino)pentanoic acid
CID 174579623
(2S)-2-(3-methylanilino)pentanoic acid
CID 40788448
(2R)-2-(3-chloroanilino)pentanoic acid
CID 40801075
(2S)-2-(4-bromoanilino)pentanoic acid
CID 40788491
2-(4-ethylanilino)pentanoic acid
CID 83038138
2-[3-(dimethylamino)anilino]pentanoic acid
CID 83041129
2-(3-bromo-4-fluoroanilino)pentanoic acid
CID 104777722
4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
CID 18886290
(2S)-2-(methylamino)-3-(naphthalen-2-ylamino)propanoic acid
CID 167305081
(2S)-2-(3,5-dimethylanilino)pentanoic acid
CID 40788515

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-2-ylamino)pentanoic acid?
The IUPAC name of (2S)-2-(naphthalen-2-ylamino)pentanoic acid (CID 174375050) is (2S)-2-(naphthalen-2-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(naphthalen-2-ylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(naphthalen-2-ylamino)pentanoic acid is CCC[C@H](Nc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-(naphthalen-2-ylamino)pentanoic acid?
The InChIKey is AAVBEPSGOVTOLF-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-5-14(15(17)18)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10,14,16H,2,5H2,1H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-2-ylamino)pentanoic acid?
(2S)-2-(naphthalen-2-ylamino)pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-2-ylamino)pentanoic acid is sourced from PubChem (CID 174375050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).