4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid

C10H18N2O4 — CID 61041902

IUPAC4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
SMILESCCCN(CC(=O)NC)C(=O)CCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-6-12(7-8(13)11-2)9(14)4-5-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyJGLARRMTBCGOFU-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.16
Rot. Bonds7

About 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid

4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid (PubChem CID 61041902) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
PubChem CID61041902
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
SMILESCCCN(CC(=O)NC)C(=O)CCC(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-6-12(7-8(13)11-2)9(14)4-5-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16)
InChIKeyJGLARRMTBCGOFU-UHFFFAOYSA-N
XLogP-0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-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

2-[(2-bromoacetyl)-propylamino]-N-methylacetamide
CID 63680296
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 54916205
2-(2-hydroxyphenyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide
CID 78916891
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
CID 61199001
2-[[4-(dipropylamino)-4-oxobutanoyl]-ethylamino]acetic acid
CID 119206224
2-methyl-2-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-N-propylpropanamide
CID 62848178
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451
(2R)-2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 78972133
4-[3-methylpentyl(propyl)amino]-4-oxobutanoic acid
CID 146341512
3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327106
2-[propyl(tridecanoyl)amino]acetic acid
CID 139609682
2-[[5-oxo-5-(propylamino)pentanoyl]-propylamino]acetic acid
CID 119205165

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid (CID 61041902) is 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid is CCCN(CC(=O)NC)C(=O)CCC(=O)O.
What is the InChIKey of 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid?
The InChIKey is JGLARRMTBCGOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-6-12(7-8(13)11-2)9(14)4-5-10(15)16/h3-7H2,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid?
4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 61041902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).