5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid

C11H17NO5 — CID 104855853

IUPAC5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNC(=O)[C@H]2CCCO2)O1
InChIInChI=1S/C11H17NO5/c13-10(8-2-1-5-16-8)12-6-7-3-4-9(17-7)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)/t7?,8-,9?/m1/s1
InChIKeyMKAYLZNDDGOAKT-QJAFJHJLSA-N
MW243.26 g/mol
LogP-0.09
Rot. Bonds4

About 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid

5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid (PubChem CID 104855853) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid
PubChem CID104855853
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(CNC(=O)[C@H]2CCCO2)O1
InChIInChI=1S/C11H17NO5/c13-10(8-2-1-5-16-8)12-6-7-3-4-9(17-7)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)/t7?,8-,9?/m1/s1
InChIKeyMKAYLZNDDGOAKT-QJAFJHJLSA-N
XLogP-0.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(oxan-2-ylmethyl)oxolane-2-carboxamide
CID 120789270
5-[(cyclohexylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103237849
5-[[(3,3-difluorocyclopentanecarbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 114226212
(2S)-N-[(1-hydroxycycloheptyl)methyl]oxolane-2-carboxamide
CID 113342862
5-[(2,3-dihydro-1H-indene-2-carbonylamino)methyl]oxolane-2-carboxylic acid
CID 106892442
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
oxolane-2-carboxylic acid;silver
CID 160678639
5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
CID 103254958
5-[[2-(cyclopropanecarbonylamino)ethylamino]methyl]oxolane-2-carboxylic acid
CID 103265519
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860
5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106740322

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid (CID 104855853) is 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid is O=C(O)C1CCC(CNC(=O)[C@H]2CCCO2)O1.
What is the InChIKey of 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is MKAYLZNDDGOAKT-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H17NO5/c13-10(8-2-1-5-16-8)12-6-7-3-4-9(17-7)11(14)15/h7-9H,1-6H2,(H,12,13)(H,14,15)/t7?,8-,9?/m1/s1.
What are the key properties of 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid?
5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R)-oxolane-2-carbonyl]amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 104855853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).