(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid

C13H21NO5 — CID 102945543

IUPAC(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(NCC1(CO)CCCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H21NO5/c15-8-13(5-1-2-6-13)7-14-11(16)9-3-4-10(19-9)12(17)18/h9-10,15H,1-8H2,(H,14,16)(H,17,18)/t9-,10+/m0/s1
InChIKeyYTDOKQMPLOESDW-VHSXEESVSA-N
MW271.31 g/mol
LogP0.29
Rot. Bonds5

About (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945543) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID102945543
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid
SMILESO=C(NCC1(CO)CCCC1)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C13H21NO5/c15-8-13(5-1-2-6-13)7-14-11(16)9-3-4-10(19-9)12(17)18/h9-10,15H,1-8H2,(H,14,16)(H,17,18)/t9-,10+/m0/s1
InChIKeyYTDOKQMPLOESDW-VHSXEESVSA-N
XLogP0.29
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid (CID 102945543) is (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid is O=C(NCC1(CO)CCCC1)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is YTDOKQMPLOESDW-VHSXEESVSA-N. The full InChI is InChI=1S/C13H21NO5/c15-8-13(5-1-2-6-13)7-14-11(16)9-3-4-10(19-9)12(17)18/h9-10,15H,1-8H2,(H,14,16)(H,17,18)/t9-,10+/m0/s1.
What are the key properties of (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[1-(hydroxymethyl)cyclopentyl]methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).