3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid

C10H16N2O4 — CID 64889873

IUPAC3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O4/c13-8(7-2-1-4-11-7)12-10(9(14)15)3-5-16-6-10/h7,11H,1-6H2,(H,12,13)(H,14,15)/t7-,10?/m0/s1
InChIKeyZIXSRBWNSSEWOZ-BYDSUWOYSA-N
MW228.25 g/mol
LogP-0.90
Rot. Bonds3

About 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid

3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid (PubChem CID 64889873) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
PubChem CID64889873
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCOC1)[C@@H]1CCCN1
InChIInChI=1S/C10H16N2O4/c13-8(7-2-1-4-11-7)12-10(9(14)15)3-5-16-6-10/h7,11H,1-6H2,(H,12,13)(H,14,15)/t7-,10?/m0/s1
InChIKeyZIXSRBWNSSEWOZ-BYDSUWOYSA-N
XLogP-0.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-[[(2R)-pyrrolidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 103870910
3-(thiolane-2-carbonylamino)oxolane-3-carboxylic acid
CID 64890928
4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104913572
3-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxolane-3-carboxylic acid
CID 120532697
4-(piperidine-3-carbonylamino)oxane-4-carboxylic acid
CID 115292352
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid
CID 64889977
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 104914473
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317
3-[2-(oxan-4-yl)propanoylamino]oxolane-3-carboxylic acid
CID 120688768
4-[(2-methylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 113280297

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid (CID 64889873) is 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid is O=C(NC1(C(=O)O)CCOC1)[C@@H]1CCCN1.
What is the InChIKey of 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid?
The InChIKey is ZIXSRBWNSSEWOZ-BYDSUWOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-8(7-2-1-4-11-7)12-10(9(14)15)3-5-16-6-10/h7,11H,1-6H2,(H,12,13)(H,14,15)/t7-,10?/m0/s1.
What are the key properties of 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid?
3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of -0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-pyrrolidine-2-carbonyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64889873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).