3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid

C11H18N2O6 — CID 66167842

IUPAC3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCOC(=O)C1CCCN1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-2-19-10(17)7-4-3-5-13(7)11(18)12-6-8(14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16)
InChIKeyQSNKNIIMAMTOQK-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.83
Rot. Bonds5

About 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid

3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 66167842) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID66167842
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCOC(=O)C1CCCN1C(=O)NCC(O)C(=O)O
InChIInChI=1S/C11H18N2O6/c1-2-19-10(17)7-4-3-5-13(7)11(18)12-6-8(14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16)
InChIKeyQSNKNIIMAMTOQK-UHFFFAOYSA-N
XLogP-0.83
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670640
(2S)-3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107838232
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
2-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)-methylamino]propanoic acid
CID 55096838
2-hydroxy-3-[(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055675
2-[(2-ethoxycarbonylpiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 61265168
ethyl (2R)-1-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
CID 168891072
3-[(2-carbamoylpyrrolidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670104
ethyl (2R)-1-[6-[(2R)-2-ethoxycarbonylpyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylate
CID 10150705
(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
1-[6-(2-ethoxycarbonylpyrrolidin-1-yl)-6-oxohexanoyl]pyrrolidine-2-carboxylic acid
CID 22398183
ethyl 1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 55006105

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid (CID 66167842) is 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid is CCOC(=O)C1CCCN1C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is QSNKNIIMAMTOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-2-19-10(17)7-4-3-5-13(7)11(18)12-6-8(14)9(15)16/h7-8,14H,2-6H2,1H3,(H,12,18)(H,15,16).
What are the key properties of 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 274.27 g/mol, XLogP of -0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxycarbonylpyrrolidine-1-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66167842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).