(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid

C11H18N2O6 — CID 61153649

IUPAC(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCOCCN1CC(C(=O)N[C@@H](CO)C(=O)O)CC1=O
InChIInChI=1S/C11H18N2O6/c1-19-3-2-13-5-7(4-9(13)15)10(16)12-8(6-14)11(17)18/h7-8,14H,2-6H2,1H3,(H,12,16)(H,17,18)/t7?,8-/m0/s1
InChIKeyHCIRBQRLDUHCFK-MQWKRIRWSA-N
MW274.27 g/mol
LogP-1.96
Rot. Bonds7

About (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 61153649) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID61153649
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCOCCN1CC(C(=O)N[C@@H](CO)C(=O)O)CC1=O
InChIInChI=1S/C11H18N2O6/c1-19-3-2-13-5-7(4-9(13)15)10(16)12-8(6-14)11(17)18/h7-8,14H,2-6H2,1H3,(H,12,16)(H,17,18)/t7?,8-/m0/s1
InChIKeyHCIRBQRLDUHCFK-MQWKRIRWSA-N
XLogP-1.96
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 61155168
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 92919690
4-amino-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-oxobutanoic acid
CID 43357177
(2S)-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 61152983
2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylsulfanylbutanoic acid
CID 43353501
(2S)-2-[[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoic acid
CID 124605830
N-(1-hydroxypentan-3-yl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 115767487
(2R)-3-hydroxy-2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 80749560
5-methoxy-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 81076344
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
(3S)-N-tert-butyl-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94046054
3-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 43354871

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid (CID 61153649) is (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is COCCN1CC(C(=O)N[C@@H](CO)C(=O)O)CC1=O.
What is the InChIKey of (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is HCIRBQRLDUHCFK-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-19-3-2-13-5-7(4-9(13)15)10(16)12-8(6-14)11(17)18/h7-8,14H,2-6H2,1H3,(H,12,16)(H,17,18)/t7?,8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 274.27 g/mol, XLogP of -1.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[1-(2-methoxyethyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 61153649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).