2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid

C10H20N2O4 — CID 104903192

IUPAC2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
SMILESCC(C)C[C@@H](N)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H20N2O4/c1-5(2)4-7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1
InChIKeyLRKCBIUDWAXNEG-ZUEIMRROSA-N
MW232.28 g/mol
LogP-0.69
Rot. Bonds6

About 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid

2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid (PubChem CID 104903192) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
PubChem CID104903192
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
SMILESCC(C)C[C@@H](N)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C10H20N2O4/c1-5(2)4-7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1
InChIKeyLRKCBIUDWAXNEG-ZUEIMRROSA-N
XLogP-0.69
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-3-hydroxybutanoic acid
CID 18300748
(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid
CID 145456519
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid
CID 18300888
3-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-4-[(1-carboxy-2-hydroxypropyl)amino]-4-oxobutanoic acid
CID 18300808
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid
CID 18301052
2-[[2-[[4-amino-2-[(2-amino-4-methylpentanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
CID 22703579
3-amino-4-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18250830
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
CID 18298685
(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-hydroxybutanoic acid
CID 145456473
2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid
CID 18222200
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoic acid
CID 22706235
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoic acid
CID 18301067

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid (CID 104903192) is 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid is CC(C)C[C@@H](N)C(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid?
The InChIKey is LRKCBIUDWAXNEG-ZUEIMRROSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-5(2)4-7(11)9(14)12-8(6(3)13)10(15)16/h5-8,13H,4,11H2,1-3H3,(H,12,14)(H,15,16)/t6?,7-,8?/m1/s1.
What are the key properties of 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid?
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid has a molecular weight of 232.28 g/mol, XLogP of -0.69, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 104903192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).