4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid

C10H19N3O4 — CID 55006167

IUPAC4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
SMILESCNC(=O)NC(=O)CCN(C)CCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-11-10(17)12-8(14)5-7-13(2)6-3-4-9(15)16/h3-7H2,1-2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyIFYLQZIHJYPFHN-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.37
Rot. Bonds7

About 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid

4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid (PubChem CID 55006167) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
PubChem CID55006167
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid
SMILESCNC(=O)NC(=O)CCN(C)CCCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-11-10(17)12-8(14)5-7-13(2)6-3-4-9(15)16/h3-7H2,1-2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyIFYLQZIHJYPFHN-UHFFFAOYSA-N
XLogP-0.37
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

3-[[3-(methylcarbamoylamino)-3-oxopropyl]amino]propanoic acid
CID 43466326
4-[2-fluoroethyl(methyl)amino]butanoic acid
CID 80694935
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
2-[3-aminopropyl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 81493509
4-[methyl(methylamino)amino]butanoic acid
CID 143573118
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
4-[4-[4-[3-acetamidopropyl(methyl)amino]butyl-methylamino]butyl-methylamino]butanoic acid
CID 58587436
N-(methylcarbamoyl)butanamide
CID 12936929
hexanoic acid;N-methyl-N-propylpropan-1-amine
CID 173099175
2-[[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetic acid
CID 43466011
4-[hydroxy(methyl)amino]butanoic acid
CID 130868262
3-[4-aminobutyl(methyl)amino]-N-methylpropanamide
CID 106914832

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid (CID 55006167) is 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid is CNC(=O)NC(=O)CCN(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid?
The InChIKey is IFYLQZIHJYPFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-11-10(17)12-8(14)5-7-13(2)6-3-4-9(15)16/h3-7H2,1-2H3,(H,15,16)(H2,11,12,14,17).
What are the key properties of 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid?
4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(methylcarbamoylamino)-3-oxopropyl]amino]butanoic acid is sourced from PubChem (CID 55006167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).