(2S,5S)-5-carbamoyloxolane-2-carboxylic acid

C6H9NO4 — CID 97358936

IUPAC(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
SMILESNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1
InChIInChI=1S/C6H9NO4/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)/t3-,4-/m0/s1
InChIKeyYRMFPCPZWAVWNH-IMJSIDKUSA-N
MW159.14 g/mol
LogP-0.90
Rot. Bonds2

About (2S,5S)-5-carbamoyloxolane-2-carboxylic acid

(2S,5S)-5-carbamoyloxolane-2-carboxylic acid (PubChem CID 97358936) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2S,5S)-5-carbamoyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
PubChem CID97358936
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(2S,5S)-5-carbamoyloxolane-2-carboxylic acid
SMILESNC(=O)[C@@H]1CC[C@@H](C(=O)O)O1
InChIInChI=1S/C6H9NO4/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)/t3-,4-/m0/s1
InChIKeyYRMFPCPZWAVWNH-IMJSIDKUSA-N
XLogP-0.90
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2S,6R)-oxane-2,6-dicarboxylic acid
CID 22804348
5-[2-(carbamoylamino)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102688875
(2S,5R)-5-(methoxycarbamoyl)oxolane-2-carboxylic acid
CID 131204169
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
(2R)-5-methyloxolane-2-carboxylic acid
CID 58055098
3-[(2R,5S)-5-carbamoyloxolan-2-yl]propanoic acid
CID 125424994
3,3,3-trifluoropropyl (2S,5R)-5-carbamoyloxolane-2-carboxylate
CID 99800541
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045
5-[2-[5-(2-hydroxyethoxycarbonyl)oxolane-2-carbonyl]oxyethoxycarbonyl]oxolane-2-carboxylic acid
CID 155790014
(2S,5R)-5-[(1R)-1-aminoethyl]oxolane-2-carboxylic acid
CID 11500041
(2S,5S)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylic acid
CID 11708844

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-carbamoyloxolane-2-carboxylic acid?
The IUPAC name of (2S,5S)-5-carbamoyloxolane-2-carboxylic acid (CID 97358936) is (2S,5S)-5-carbamoyloxolane-2-carboxylic acid.
What is the SMILES notation for (2S,5S)-5-carbamoyloxolane-2-carboxylic acid?
The canonical SMILES for (2S,5S)-5-carbamoyloxolane-2-carboxylic acid is NC(=O)[C@@H]1CC[C@@H](C(=O)O)O1.
What is the InChIKey of (2S,5S)-5-carbamoyloxolane-2-carboxylic acid?
The InChIKey is YRMFPCPZWAVWNH-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H9NO4/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)/t3-,4-/m0/s1.
What are the key properties of (2S,5S)-5-carbamoyloxolane-2-carboxylic acid?
(2S,5S)-5-carbamoyloxolane-2-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-carbamoyloxolane-2-carboxylic acid is sourced from PubChem (CID 97358936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).