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

C13H26N2O3 — CID 18606616

IUPAC(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
SMILESCCCCC(CC)C(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-3-5-7-10(4-2)12(16)15-11(13(17)18)8-6-9-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)/t10?,11-/m0/s1
InChIKeyWPHGAGYWTASRDM-DTIOYNMSSA-N
MW258.36 g/mol
LogP1.51
Rot. Bonds10

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

(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid (PubChem CID 18606616) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
PubChem CID18606616
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
SMILESCCCCC(CC)C(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C13H26N2O3/c1-3-5-7-10(4-2)12(16)15-11(13(17)18)8-6-9-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)/t10?,11-/m0/s1
InChIKeyWPHGAGYWTASRDM-DTIOYNMSSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403
5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
CID 43125486
2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
CID 81076563
(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
CID 78975573
(2S)-2-[[(2S)-2-butylheptanoyl]amino]butanoic acid
CID 87898697
6-(2-ethylhexanoylamino)-2-methylheptanoic acid
CID 65285585
N-(1-amino-4,4-dimethylpentan-3-yl)-2-ethylhexanamide
CID 114178195
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
6-amino-2-[[(2S)-2-aminoheptanoyl]amino]hexanoic acid
CID 126760734
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181
(2S)-6-amino-2-[[4-amino-2-(2-aminohexanoylamino)butanoyl]amino]hexanoic acid
CID 24983240

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid?
The IUPAC name of (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid (CID 18606616) is (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid is CCCCC(CC)C(=O)N[C@@H](CCCN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid?
The InChIKey is WPHGAGYWTASRDM-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-3-5-7-10(4-2)12(16)15-11(13(17)18)8-6-9-14/h10-11H,3-9,14H2,1-2H3,(H,15,16)(H,17,18)/t10?,11-/m0/s1.
What are the key properties of (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid?
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.51, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid is sourced from PubChem (CID 18606616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).