(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid

C10H18N2O4 — CID 107821489

IUPAC(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
SMILESCCCC(C)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-4-6(2)9(14)12-7(10(15)16)5-8(11)13/h6-7H,3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t6?,7-/m1/s1
InChIKeyXZFSYYRSVAAZKL-COBSHVIPSA-N
MW230.26 g/mol
LogP-0.13
Rot. Bonds7

About (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid

(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid (PubChem CID 107821489) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
PubChem CID107821489
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
SMILESCCCC(C)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-4-6(2)9(14)12-7(10(15)16)5-8(11)13/h6-7H,3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t6?,7-/m1/s1
InChIKeyXZFSYYRSVAAZKL-COBSHVIPSA-N
XLogP-0.13
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid
CID 103868880
4-amino-2-[[3-(ethylamino)-2-methylpropanoyl]amino]-4-oxobutanoic acid
CID 55123175
(2S)-2-[(4-amino-2-methylbutanoyl)amino]pentanoic acid
CID 107565180
4-amino-2-[[2-methyl-3-(methylamino)propanoyl]amino]-4-oxobutanoic acid
CID 79202743
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 61156639
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid
CID 107821565

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid (CID 107821489) is (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid is CCCC(C)C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid?
The InChIKey is XZFSYYRSVAAZKL-COBSHVIPSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-4-6(2)9(14)12-7(10(15)16)5-8(11)13/h6-7H,3-5H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t6?,7-/m1/s1.
What are the key properties of (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid?
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 107821489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).