(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid

C10H20N4O4 — CID 114005644

IUPAC(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCN(C)CCN(C)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H20N4O4/c1-13(2)4-5-14(3)10(18)12-7(9(16)17)6-8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)(H,12,18)(H,16,17)/t7-/m1/s1
InChIKeyPQXKXPLTYWGVIH-SSDOTTSWSA-N
MW260.29 g/mol
LogP-1.48
Rot. Bonds7

About (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid

(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid (PubChem CID 114005644) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
PubChem CID114005644
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC Name(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid
SMILESCN(C)CCN(C)C(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C10H20N4O4/c1-13(2)4-5-14(3)10(18)12-7(9(16)17)6-8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)(H,12,18)(H,16,17)/t7-/m1/s1
InChIKeyPQXKXPLTYWGVIH-SSDOTTSWSA-N
XLogP-1.48
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-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

5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
(2R)-4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826113
4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61198911
(2R)-4-amino-2-[[methyl-[3-(methylamino)propyl]carbamoyl]amino]-4-oxobutanoic acid
CID 107828446
(2R)-4-amino-2-[[methyl(2-methylpropyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826094
2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 55226587
(2S)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 98534737
4-amino-2-[[(2-methoxy-2-oxoethyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 61193149
(2R)-4-amino-2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107826942
(2R)-4-amino-2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107827597
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid (CID 114005644) is (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid is CN(C)CCN(C)C(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is PQXKXPLTYWGVIH-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20N4O4/c1-13(2)4-5-14(3)10(18)12-7(9(16)17)6-8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)(H,12,18)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 114005644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).