2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid

C9H18N2O4 — CID 4046492

IUPAC2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid
SMILESCC(C)C(N)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyGVRKWABULJAONN-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.08
Rot. Bonds5

About 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid

2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid (PubChem CID 4046492) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid
PubChem CID4046492
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC Name2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid
SMILESCC(C)C(N)C(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyGVRKWABULJAONN-UHFFFAOYSA-N
XLogP-1.08
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid (CID 4046492) is 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid is CC(C)C(N)C(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid?
The InChIKey is GVRKWABULJAONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-4(2)6(10)8(13)11-7(5(3)12)9(14)15/h4-7,12H,10H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid?
2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid has a molecular weight of 218.25 g/mol, XLogP of -1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylbutanoyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 4046492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).