(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid

C15H18N2O2 — CID 141020858

IUPAC(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
SMILESNCCC[C@H](Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c16-10-4-9-14(15(18)19)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,17H,4,9-10,16H2,(H,18,19)/t14-/m0/s1
InChIKeyNFJBKVFDTKUQPI-AWEZNQCLSA-N
MW258.32 g/mol
LogP2.44
Rot. Bonds6

About (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid

(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid (PubChem CID 141020858) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
PubChem CID141020858
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid
SMILESNCCC[C@H](Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C15H18N2O2/c16-10-4-9-14(15(18)19)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,17H,4,9-10,16H2,(H,18,19)/t14-/m0/s1
InChIKeyNFJBKVFDTKUQPI-AWEZNQCLSA-N
XLogP2.44
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(naphthalen-1-ylamino)-5-oxopentanoic acid
CID 144900883
2-(naphthalen-1-ylamino)butanedioic acid
CID 115144291
2-(naphthalen-1-ylamino)butanoic acid
CID 64667732
6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
CID 154945512
azane;(2S)-2-(naphthalen-1-ylamino)propanoic acid
CID 66694712
5-methoxy-4-N-naphthalen-1-ylpentane-1,4-diamine
CID 103387010
(2S)-6-amino-2-(1-naphthalen-1-ylethylcarbamoylamino)hexanoic acid
CID 69228655
2-[[4-(naphthalen-1-ylamino)-4-oxobutanoyl]amino]hexanoic acid
CID 175969260
2-(methylamino)-3-(naphthalen-1-ylamino)propanoic acid
CID 115255971
2-methyl-4-(naphthalen-1-ylamino)butanoic acid
CID 115220580
5-amino-2-(1-naphthalen-1-ylethylamino)pentanamide
CID 174409746
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid (CID 141020858) is (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid is NCCC[C@H](Nc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid?
The InChIKey is NFJBKVFDTKUQPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-10-4-9-14(15(18)19)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8,14,17H,4,9-10,16H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid?
(2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid has a molecular weight of 258.32 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(naphthalen-1-ylamino)pentanoic acid is sourced from PubChem (CID 141020858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).