3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid

C12H21N3O5 — CID 81086138

IUPAC3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
SMILESCOCC(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-14(7-10(16)15-5-3-4-6-15)12(19)13-9(8-20-2)11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyCEQYQKSSIYXSAC-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.65
Rot. Bonds6

About 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid

3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid (PubChem CID 81086138) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
PubChem CID81086138
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
SMILESCOCC(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C12H21N3O5/c1-14(7-10(16)15-5-3-4-6-15)12(19)13-9(8-20-2)11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18)
InChIKeyCEQYQKSSIYXSAC-UHFFFAOYSA-N
XLogP-0.65
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-4-hydroxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 107826693
4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
CID 61439871
(2R)-4-amino-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826694
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
2-(azepane-1-carbonylamino)-3-methoxypropanoic acid
CID 81077084
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728
3-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 81086301
2-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]-3-methoxypropanoic acid
CID 81086151
2-[[2-hydroxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81085766
2-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 79801349
2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081493

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid (CID 81086138) is 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid is COCC(NC(=O)N(C)CC(=O)N1CCCC1)C(=O)O.
What is the InChIKey of 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid?
The InChIKey is CEQYQKSSIYXSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-14(7-10(16)15-5-3-4-6-15)12(19)13-9(8-20-2)11(17)18/h9H,3-8H2,1-2H3,(H,13,19)(H,17,18).
What are the key properties of 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid?
3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid has a molecular weight of 287.32 g/mol, XLogP of -0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 81086138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).