3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid

C9H18N2O3 — CID 64894677

IUPAC3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid
SMILESCC(C)CCNC(=O)C(N)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)3-4-11-9(14)7(10)5-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyCYIMRBYBNIGZDI-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.05
Rot. Bonds6

About 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid

3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid (PubChem CID 64894677) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid
PubChem CID64894677
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid
SMILESCC(C)CCNC(=O)C(N)CC(=O)O
InChIInChI=1S/C9H18N2O3/c1-6(2)3-4-11-9(14)7(10)5-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyCYIMRBYBNIGZDI-UHFFFAOYSA-N
XLogP-0.05
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid?
The IUPAC name of 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid (CID 64894677) is 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid.
What is the SMILES notation for 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid?
The canonical SMILES for 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid is CC(C)CCNC(=O)C(N)CC(=O)O.
What is the InChIKey of 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid?
The InChIKey is CYIMRBYBNIGZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-6(2)3-4-11-9(14)7(10)5-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid?
3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3-methylbutylamino)-4-oxobutanoic acid is sourced from PubChem (CID 64894677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).