3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid

C10H19N3O5 — CID 106110722

IUPAC3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid
SMILESCCN(C)C(=O)CNC(=O)NCC(OC)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-4-13(2)8(14)6-12-10(17)11-5-7(18-3)9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17)
InChIKeyIFEREMIHOCTQHP-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.14
Rot. Bonds7

About 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid

3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid (PubChem CID 106110722) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid
PubChem CID106110722
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid
SMILESCCN(C)C(=O)CNC(=O)NCC(OC)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-4-13(2)8(14)6-12-10(17)11-5-7(18-3)9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17)
InChIKeyIFEREMIHOCTQHP-UHFFFAOYSA-N
XLogP-1.14
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106110731
3-(2-ethylbutanoylamino)-2-methoxypropanoic acid
CID 106107186
2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 106110317
2-(2,2-dimethoxyethylamino)-N-ethyl-N-methylacetamide
CID 107813321
3-(2-ethylhexylcarbamoylamino)-2-methoxypropanoic acid
CID 106110667
2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 106110012
2-methoxy-3-(2-methylsulfinylethylcarbamoylamino)propanoic acid
CID 106110510
3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid
CID 106239007
2-methoxy-3-[[methyl(prop-2-ynyl)carbamoyl]amino]propanoic acid
CID 106110394
2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid
CID 114144824
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 106109727
2-methoxy-3-[(1-methylcyclobutyl)methylcarbamoylamino]propanoic acid
CID 106110688

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid (CID 106110722) is 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid is CCN(C)C(=O)CNC(=O)NCC(OC)C(=O)O.
What is the InChIKey of 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid?
The InChIKey is IFEREMIHOCTQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-4-13(2)8(14)6-12-10(17)11-5-7(18-3)9(15)16/h7H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17).
What are the key properties of 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid?
3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid is sourced from PubChem (CID 106110722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).