2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid

C10H19N3O4 — CID 65222904

IUPAC2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)NCCC(=O)NC)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-7(9(15)16)6-13-10(17)12-5-4-8(14)11-2/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyOWGZSHWRLFZYPZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.47
Rot. Bonds7

About 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid

2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid (PubChem CID 65222904) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
PubChem CID65222904
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid
SMILESCCC(CNC(=O)NCCC(=O)NC)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-7(9(15)16)6-13-10(17)12-5-4-8(14)11-2/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17)
InChIKeyOWGZSHWRLFZYPZ-UHFFFAOYSA-N
XLogP-0.47
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3-ethoxy-3-oxopropyl)carbamoylamino]methyl]butanoic acid
CID 65221683
2-[[3-(methylamino)propanoylamino]methyl]butanoic acid
CID 65224493
2-hydroxy-3-[[3-(methylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 66165318
2-methyl-4-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 80541843
2-[[2-(dimethylcarbamoylamino)ethylcarbamoylamino]methyl]butanoic acid
CID 83114358
4-methyl-5-[[3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 82014412
2-[(prop-2-ynylcarbamoylamino)methyl]butanoic acid
CID 65217556
2-[[2-(dimethylsulfamoyl)ethylcarbamoylamino]methyl]butanoic acid
CID 106341409
2-[[2-(3-methylbutoxy)ethylcarbamoylamino]methyl]butanoic acid
CID 65222324
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138

Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid?
The IUPAC name of 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid (CID 65222904) is 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid?
The canonical SMILES for 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid is CCC(CNC(=O)NCCC(=O)NC)C(=O)O.
What is the InChIKey of 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid?
The InChIKey is OWGZSHWRLFZYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-7(9(15)16)6-13-10(17)12-5-4-8(14)11-2/h7H,3-6H2,1-2H3,(H,11,14)(H,15,16)(H2,12,13,17).
What are the key properties of 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid?
2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]butanoic acid is sourced from PubChem (CID 65222904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).