(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid

C11H22N2O3 — CID 107147000

IUPAC(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C(N)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-5-6-8(11(15)16)13-10(14)9(12)7(2)3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8-,9?/m0/s1
InChIKeyOYERYTXFSRFVON-IENPIDJESA-N
MW230.31 g/mol
LogP0.73
Rot. Bonds7

About (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid

(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid (PubChem CID 107147000) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
PubChem CID107147000
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)C(N)C(C)C)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-5-6-8(11(15)16)13-10(14)9(12)7(2)3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8-,9?/m0/s1
InChIKeyOYERYTXFSRFVON-IENPIDJESA-N
XLogP0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]hexanoic acid
CID 54546738
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
2-[(2-amino-3,3-dimethylbutanoyl)amino]hexanoic acid
CID 76894181
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
(2S)-2-(2,3,3-trimethylbutanoylamino)hexanoic acid
CID 120615278
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
6-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]hexanoic acid
CID 18232579
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylsulfanylbutanoic acid
CID 73351643
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 54575440
(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoic acid
CID 139904392
2-[[(2S)-2-aminoheptanoyl]amino]heptanoic acid
CID 121291203
(2S)-2-[[(2R)-2-(dimethylamino)-3-methylbutanoyl]amino]hexanoic acid
CID 120614783

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid (CID 107147000) is (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid is CCCC[C@H](NC(=O)C(N)C(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid?
The InChIKey is OYERYTXFSRFVON-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-6-8(11(15)16)13-10(14)9(12)7(2)3/h7-9H,4-6,12H2,1-3H3,(H,13,14)(H,15,16)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid?
(2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-3-methylbutanoyl)amino]hexanoic acid is sourced from PubChem (CID 107147000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).