2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid

C10H19N3O4 — CID 65224533

IUPAC2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)6(10(16)17)4-13-9(15)7(11)3-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyOOQNZTNRDJWKOW-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.34
Rot. Bonds7

About 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid

2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid (PubChem CID 65224533) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
PubChem CID65224533
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid
SMILESCC(C)C(CNC(=O)C(N)CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5(2)6(10(16)17)4-13-9(15)7(11)3-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17)
InChIKeyOOQNZTNRDJWKOW-UHFFFAOYSA-N
XLogP-1.34
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid with MolForge

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Related Compounds

2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
3-[(2,4-diamino-4-oxobutanoyl)amino]-2-hydroxypropanoic acid
CID 66168013
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]butanoic acid
CID 65224539
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
2-amino-N-(2-methylbutyl)butanediamide
CID 62692665
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
2-amino-N-(2,2-dihydroxyethyl)butanediamide
CID 154111575
2-amino-N-(3-hydroxybutyl)butanediamide
CID 64912890
2-[(2,4-diamino-4-oxobutanoyl)amino]-3,3-dimethylbutanoic acid
CID 61161394
2-[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]propanoylamino]-3-methylbutanoic acid
CID 22654892
(2S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CID 101266612

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid (CID 65224533) is 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid is CC(C)C(CNC(=O)C(N)CC(N)=O)C(=O)O.
What is the InChIKey of 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid?
The InChIKey is OOQNZTNRDJWKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5(2)6(10(16)17)4-13-9(15)7(11)3-8(12)14/h5-7H,3-4,11H2,1-2H3,(H2,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid?
2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-diamino-4-oxobutanoyl)amino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65224533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).