(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid

C14H23NO5 — CID 102945188

IUPAC(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCC1CCC(CO)(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C14H23NO5/c1-9-4-6-14(8-16,7-5-9)15-12(17)10-2-3-11(20-10)13(18)19/h9-11,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10-,11+,14?/m0/s1
InChIKeyLLQVNQJQQIDDOS-DUEVMTECSA-N
MW285.34 g/mol
LogP0.68
Rot. Bonds4

About (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945188) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945188
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCC1CCC(CO)(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C14H23NO5/c1-9-4-6-14(8-16,7-5-9)15-12(17)10-2-3-11(20-10)13(18)19/h9-11,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10-,11+,14?/m0/s1
InChIKeyLLQVNQJQQIDDOS-DUEVMTECSA-N
XLogP0.68
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 62553169
(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
CID 94468705
N-[1-(hydroxymethyl)-4-methylcyclohexyl]cyclopropanecarboxamide
CID 62525414
(1S,6R)-6-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962384
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
CID 114304382
(2R,5S)-5-[(4-methyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945713
N-[1-(hydroxymethyl)-4-methylcyclohexyl]prop-2-enamide
CID 62526480
1-ethyl-3-[1-(hydroxymethyl)-4-methylcyclohexyl]urea
CID 62525823
5-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688687
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbut-2-enamide
CID 62526110
3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-methyl-3-oxopropanoic acid
CID 114898352
(2R)-2-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 78991060

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid (CID 102945188) is (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid is CC1CCC(CO)(NC(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1.
What is the InChIKey of (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is LLQVNQJQQIDDOS-DUEVMTECSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9-4-6-14(8-16,7-5-9)15-12(17)10-2-3-11(20-10)13(18)19/h9-11,16H,2-8H2,1H3,(H,15,17)(H,18,19)/t9?,10-,11+,14?/m0/s1.
What are the key properties of (2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.68, 4 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)-4-methylcyclohexyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).