2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid

C8H16N2O5 — CID 81085766

IUPAC2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N(C)CCO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-10(3-4-11)8(14)9-6(5-15-2)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13)
InChIKeyZPICTQSFWOOHBS-UHFFFAOYSA-N
MW220.22 g/mol
LogP-1.28
Rot. Bonds6

About 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid

2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid (PubChem CID 81085766) has the molecular formula C8H16N2O5 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
PubChem CID81085766
Molecular FormulaC8H16N2O5
Molecular Weight220.22 g/mol
Exact Mass220.11
IUPAC Name2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)N(C)CCO)C(=O)O
InChIInChI=1S/C8H16N2O5/c1-10(3-4-11)8(14)9-6(5-15-2)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13)
InChIKeyZPICTQSFWOOHBS-UHFFFAOYSA-N
XLogP-1.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081493
(2S)-4-hydroxy-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 107826441
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566302
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
(2S)-2-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexanoic acid
CID 107145575
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-4-methylsulfonylbutanoic acid
CID 61206494
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
(2R)-2-[[3-methoxypropyl(methyl)carbamoyl]amino]pentanoic acid
CID 107566916
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxypropanoic acid
CID 81086151
3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 81086138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The IUPAC name of 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid (CID 81085766) is 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid is COCC(NC(=O)N(C)CCO)C(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
The InChIKey is ZPICTQSFWOOHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O5/c1-10(3-4-11)8(14)9-6(5-15-2)7(12)13/h6,11H,3-5H2,1-2H3,(H,9,14)(H,12,13).
What are the key properties of 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid?
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid has a molecular weight of 220.22 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid is sourced from PubChem (CID 81085766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).