(4S)-4-amino-5-naphthalen-1-ylpentanoic acid

C15H17NO2 — CID 66644807

IUPAC(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
SMILESN[C@@H](CCC(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c16-13(8-9-15(17)18)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10,16H2,(H,17,18)/t13-/m0/s1
InChIKeyVYLSATSPQDKEPW-ZDUSSCGKSA-N
MW243.31 g/mol
LogP2.57
Rot. Bonds5

About (4S)-4-amino-5-naphthalen-1-ylpentanoic acid

(4S)-4-amino-5-naphthalen-1-ylpentanoic acid (PubChem CID 66644807) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (4S)-4-amino-5-naphthalen-1-ylpentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
PubChem CID66644807
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(4S)-4-amino-5-naphthalen-1-ylpentanoic acid
SMILESN[C@@H](CCC(=O)O)Cc1cccc2ccccc12
InChIInChI=1S/C15H17NO2/c16-13(8-9-15(17)18)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10,16H2,(H,17,18)/t13-/m0/s1
InChIKeyVYLSATSPQDKEPW-ZDUSSCGKSA-N
XLogP2.57
TPSA63.32 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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-naphthalen-1-ylbutanoic acid
CID 53395054
4-amino-5-(1H-indol-3-yl)pentanoic acid
CID 53414125
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
4-amino-5-[2-(trifluoromethyl)phenyl]pentanoic acid
CID 62962954
4-methoxy-1-naphthalen-1-ylbutan-2-amine
CID 61079778
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
4-amino-5-[2-(trifluoromethoxy)phenyl]pentanoic acid
CID 62961689
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
4-(2-methoxyethoxy)-1-naphthalen-1-ylbutan-2-amine
CID 102927867
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
methyl (2S)-2-amino-3-naphthalen-1-ylpropanoate
CID 18714238

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-naphthalen-1-ylpentanoic acid?
The IUPAC name of (4S)-4-amino-5-naphthalen-1-ylpentanoic acid (CID 66644807) is (4S)-4-amino-5-naphthalen-1-ylpentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-naphthalen-1-ylpentanoic acid?
The canonical SMILES for (4S)-4-amino-5-naphthalen-1-ylpentanoic acid is N[C@@H](CCC(=O)O)Cc1cccc2ccccc12.
What is the InChIKey of (4S)-4-amino-5-naphthalen-1-ylpentanoic acid?
The InChIKey is VYLSATSPQDKEPW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17NO2/c16-13(8-9-15(17)18)10-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,13H,8-10,16H2,(H,17,18)/t13-/m0/s1.
What are the key properties of (4S)-4-amino-5-naphthalen-1-ylpentanoic acid?
(4S)-4-amino-5-naphthalen-1-ylpentanoic acid has a molecular weight of 243.31 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-naphthalen-1-ylpentanoic acid is sourced from PubChem (CID 66644807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).