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

C10H18N2O5 — CID 107821409

IUPAC(2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid
SMILESCOC(C)CCC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(17-2)3-4-9(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
InChIKeyDXXNTHKKSZPCER-COBSHVIPSA-N
MW246.26 g/mol
LogP-0.75
Rot. Bonds8

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

(2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid (PubChem CID 107821409) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid
PubChem CID107821409
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid
SMILESCOC(C)CCC(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-6(17-2)3-4-9(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
InChIKeyDXXNTHKKSZPCER-COBSHVIPSA-N
XLogP-0.75
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid
CID 107821565
4-amino-4-oxo-2-(pentanoylamino)butanoic acid
CID 43175996
(2R)-4-amino-2-(3-aminobutanoylamino)-4-oxobutanoic acid
CID 103870227
4-amino-2-(3-methylsulfonylpropanoylamino)-4-oxobutanoic acid
CID 43357084
(2R)-4-amino-2-(decanoylamino)-4-oxobutanoic acid
CID 107821192
(2R)-4-amino-2-[4-(methylamino)butanoylamino]-4-oxobutanoic acid
CID 103870299
(2R)-4-amino-4-oxo-2-(tetradecanoylamino)butanoic acid
CID 102500690
4-amino-4-oxo-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61158475
4-amino-4-oxo-2-(3,4,4-trimethylpentanoylamino)butanoic acid
CID 55260321
(2R)-4-amino-2-[(2-ethoxyacetyl)amino]-4-oxobutanoic acid
CID 28778474
(2S)-4-amino-2-(6-deuteriohexanoylamino)-4-oxobutanoic acid
CID 166594796
methyl (E,4S)-4-[[(2R)-4-amino-2-(butanoylamino)-4-oxobutanoyl]amino]pent-2-enoate
CID 152742112

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid (CID 107821409) is (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid is COC(C)CCC(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid?
The InChIKey is DXXNTHKKSZPCER-COBSHVIPSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6(17-2)3-4-9(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-(4-methoxypentanoylamino)-4-oxobutanoic acid?
(2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(4-methoxypentanoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 107821409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).