(2S)-5-amino-2-(decanoylamino)pentanoic acid

C15H30N2O3 — CID 54420497

IUPAC(2S)-5-amino-2-(decanoylamino)pentanoic acid
SMILESCCCCCCCCCC(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-2-3-4-5-6-7-8-11-14(18)17-13(15(19)20)10-9-12-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyWALYGZUGCXBQJI-ZDUSSCGKSA-N
MW286.42 g/mol
LogP2.44
Rot. Bonds13

About (2S)-5-amino-2-(decanoylamino)pentanoic acid

(2S)-5-amino-2-(decanoylamino)pentanoic acid (PubChem CID 54420497) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is (2S)-5-amino-2-(decanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(decanoylamino)pentanoic acid
PubChem CID54420497
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name(2S)-5-amino-2-(decanoylamino)pentanoic acid
SMILESCCCCCCCCCC(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-2-3-4-5-6-7-8-11-14(18)17-13(15(19)20)10-9-12-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1
InChIKeyWALYGZUGCXBQJI-ZDUSSCGKSA-N
XLogP2.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-6-amino-2-(heptadecanoylamino)hexanoic acid
CID 171116907
6-amino-2-(nonanoylamino)hexanoic acid
CID 22722100
6-amino-2-(octanoylamino)hexanoic acid;sulfane
CID 174384017
2-(7-aminoheptanoylamino)hexanoic acid
CID 61161785
(2S)-5-amino-2-[[(Z)-pentadec-9-enoyl]amino]pentanoic acid
CID 171116957
(2S)-5-amino-2-[[(Z)-hexadec-9-enoyl]amino]pentanoic acid
CID 171116958
6-amino-2-(hexanoylamino)hexanoic acid;dodecanamide
CID 174328411
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362
(2S)-6-amino-2-[[(E)-octadec-9-enoyl]amino]hexanoic acid
CID 87767836
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
8-[(4-amino-1-carboxybutyl)amino]-8-oxooctanoic acid
CID 118550134
8-[[(1S)-4-amino-1-carboxybutyl]amino]-8-oxooctanoic acid
CID 118550149

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(decanoylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-2-(decanoylamino)pentanoic acid (CID 54420497) is (2S)-5-amino-2-(decanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(decanoylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(decanoylamino)pentanoic acid is CCCCCCCCCC(=O)N[C@@H](CCCN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(decanoylamino)pentanoic acid?
The InChIKey is WALYGZUGCXBQJI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-2-3-4-5-6-7-8-11-14(18)17-13(15(19)20)10-9-12-16/h13H,2-12,16H2,1H3,(H,17,18)(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-5-amino-2-(decanoylamino)pentanoic acid?
(2S)-5-amino-2-(decanoylamino)pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.44, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(decanoylamino)pentanoic acid is sourced from PubChem (CID 54420497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).