2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid

C11H22N2O4 — CID 90956305

IUPAC2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid
SMILESCC(C)C[C@H](N)C(=O)OC(C)(C)C(N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-6(2)5-7(12)10(16)17-11(3,4)8(13)9(14)15/h6-8H,5,12-13H2,1-4H3,(H,14,15)/t7-,8?/m0/s1
InChIKeyGUIVPPYXHPNVMR-JAMMHHFISA-N
MW246.31 g/mol
LogP0.09
Rot. Bonds6

About 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid

2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid (PubChem CID 90956305) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid
PubChem CID90956305
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid
SMILESCC(C)C[C@H](N)C(=O)OC(C)(C)C(N)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-6(2)5-7(12)10(16)17-11(3,4)8(13)9(14)15/h6-8H,5,12-13H2,1-4H3,(H,14,15)/t7-,8?/m0/s1
InChIKeyGUIVPPYXHPNVMR-JAMMHHFISA-N
XLogP0.09
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(1-amino-2-methylpropan-2-yl) (2S)-2-amino-4-methylpentanoate
CID 139681751
2-aminobutan-2-yl (2S)-2-amino-4-methylpentanoate
CID 139681724
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-4,4-dimethylpentanoic acid;(2S)-2-amino-4-methylpentanoic acid
CID 18635634
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
sodium;(2S)-2-amino-4-methylpentanoic acid;hydride
CID 173065319
(2S)-2-amino-4-methylpentanoic acid;oxovanadium
CID 175017880
bis((2S)-2-amino-4-methylpentanoic acid);bis((2S)-2-aminopropanoic acid)
CID 57354298
4-methylpentan-2-yl 2-amino-4-methylpentanoate
CID 61277406

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid?
The IUPAC name of 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid (CID 90956305) is 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid?
The canonical SMILES for 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid is CC(C)C[C@H](N)C(=O)OC(C)(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid?
The InChIKey is GUIVPPYXHPNVMR-JAMMHHFISA-N. The full InChI is InChI=1S/C11H22N2O4/c1-6(2)5-7(12)10(16)17-11(3,4)8(13)9(14)15/h6-8H,5,12-13H2,1-4H3,(H,14,15)/t7-,8?/m0/s1.
What are the key properties of 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid?
2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid has a molecular weight of 246.31 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2S)-2-amino-4-methylpentanoyl]oxy-3-methylbutanoic acid is sourced from PubChem (CID 90956305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).