4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid

C10H19N3O4 — CID 82937494

IUPAC4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
SMILESCC(CN(C)C)NC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(6-13(2)3)11-10(17)12-8(14)4-5-9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,14,17)
InChIKeyUQIPDVMCWDWDMU-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.37
Rot. Bonds6

About 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid

4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 82937494) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
PubChem CID82937494
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
SMILESCC(CN(C)C)NC(=O)NC(=O)CCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-7(6-13(2)3)11-10(17)12-8(14)4-5-9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,14,17)
InChIKeyUQIPDVMCWDWDMU-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid
CID 82950117
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
(2R)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanedioic acid
CID 107840772
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82937416
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 82939192
2-[1-(dimethylamino)propan-2-ylamino]acetic acid
CID 82937754
2-chloro-N-[1-(dimethylamino)propan-2-yl]acetamide
CID 82945659
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 82939623
4-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 65048259
3-[2-[1-(dimethylamino)propan-2-ylcarbamoylamino]phenyl]propanoic acid
CID 107274126
N-[1-(dimethylamino)propan-2-yl]-2-methylpropanamide
CID 22973200
3-[1-(dimethylamino)propan-2-ylcarbamoylamino]-2,2,3-trimethylbutanoic acid
CID 82949384

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid (CID 82937494) is 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid is CC(CN(C)C)NC(=O)NC(=O)CCC(=O)O.
What is the InChIKey of 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is UQIPDVMCWDWDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-7(6-13(2)3)11-10(17)12-8(14)4-5-9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,14,17).
What are the key properties of 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 82937494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).