2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid

C10H19N3O4 — CID 55097076

IUPAC2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
SMILESCCN(CC(=O)NC)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5-13(6-8(14)11-3)10(17)12(4)7(2)9(15)16/h7H,5-6H2,1-4H3,(H,11,14)(H,15,16)
InChIKeyHYGZOKXSUQDJLK-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.42
Rot. Bonds5

About 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid

2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid (PubChem CID 55097076) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
PubChem CID55097076
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
SMILESCCN(CC(=O)NC)C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C10H19N3O4/c1-5-13(6-8(14)11-3)10(17)12(4)7(2)9(15)16/h7H,5-6H2,1-4H3,(H,11,14)(H,15,16)
InChIKeyHYGZOKXSUQDJLK-UHFFFAOYSA-N
XLogP-0.42
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
2-[[cyclopropylmethyl(ethyl)carbamoyl]-methylamino]propanoic acid
CID 63956264
2-[[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223396
N-ethyl-3-(ethylamino)-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 62837362
N-ethyl-N-[2-(methylamino)-2-oxoethyl]prop-2-enamide
CID 43616725
(2R)-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-2-methylsulfanylpropanamide
CID 94170765
3-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 60837009
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 62637760
2-[4-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]piperazin-1-yl]propanoic acid
CID 62312294
3-[tert-butyl-[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 61449870
2-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]acetamide
CID 43579092
2-[[[2-(methylamino)-2-oxoethyl]-propylcarbamoyl]amino]propanoic acid
CID 54985451

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid (CID 55097076) is 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid is CCN(CC(=O)NC)C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid?
The InChIKey is HYGZOKXSUQDJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-5-13(6-8(14)11-3)10(17)12(4)7(2)9(15)16/h7H,5-6H2,1-4H3,(H,11,14)(H,15,16).
What are the key properties of 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid?
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid has a molecular weight of 245.28 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid is sourced from PubChem (CID 55097076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).