(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid

C10H19N3O4 — CID 113342300

IUPAC(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid
SMILESCCCC(C)(N)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-4-10(2,12)9(17)13-6(8(15)16)5-7(11)14/h6H,3-5,12H2,1-2H3,(H2,11,14)(H,13,17)(H,15,16)/t6-,10?/m1/s1
InChIKeyAYKMNOQPQCEVCI-ZMMDDIOLSA-N
MW245.28 g/mol
LogP-1.05
Rot. Bonds7

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

(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid (PubChem CID 113342300) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid
PubChem CID113342300
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid
SMILESCCCC(C)(N)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-4-10(2,12)9(17)13-6(8(15)16)5-7(11)14/h6H,3-5,12H2,1-2H3,(H2,11,14)(H,13,17)(H,15,16)/t6-,10?/m1/s1
InChIKeyAYKMNOQPQCEVCI-ZMMDDIOLSA-N
XLogP-1.05
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 ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-amino-2-[(2-amino-2-methylpentanoyl)amino]-5-oxopentanoic acid
CID 61159622
(2S)-2-[(2-amino-2-methylpentanoyl)amino]pentanoic acid
CID 103869776
2-[(2-amino-2-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 61157022
(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxobutanoic acid
CID 30053119
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
2-[(2-amino-2-methylbutanoyl)amino]pentanoic acid
CID 79805263
2-amino-N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-methylpentanamide
CID 106345053
2-[(2-amino-2-methylpentanoyl)amino]-2-phenylacetic acid
CID 61158432
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid
CID 107824520
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid (CID 113342300) is (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid is CCCC(C)(N)C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid?
The InChIKey is AYKMNOQPQCEVCI-ZMMDDIOLSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-4-10(2,12)9(17)13-6(8(15)16)5-7(11)14/h6H,3-5,12H2,1-2H3,(H2,11,14)(H,13,17)(H,15,16)/t6-,10?/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.05, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-amino-2-methylpentanoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 113342300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).