4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 93298114

IUPAC4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)[C@@H]2CCCO2)(C(=O)O)CC1
InChIInChI=1S/C14H23NO4/c1-2-10-5-7-14(8-6-10,13(17)18)15-12(16)11-4-3-9-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)/t10?,11-,14?/m0/s1
InChIKeyBPVPGOWWEJKHGH-CVZZAPKMSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds4

About 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid

4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 93298114) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID93298114
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)[C@@H]2CCCO2)(C(=O)O)CC1
InChIInChI=1S/C14H23NO4/c1-2-10-5-7-14(8-6-10,13(17)18)15-12(16)11-4-3-9-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)/t10?,11-,14?/m0/s1
InChIKeyBPVPGOWWEJKHGH-CVZZAPKMSA-N
XLogP1.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(carbamoylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 43163266
4-ethyl-1-[[(2R)-piperidine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 104913572
3-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 62214759
methyl 1-[[(2R)-oxolane-2-carbonyl]amino]cycloheptane-1-carboxylate
CID 94823655
(2S)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]oxolane-2-carboxamide
CID 94468705
1-[(2-amino-1-methylcyclopentanecarbonyl)amino]-4-ethylcyclohexane-1-carboxylic acid
CID 82758308
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
4-ethyl-1-(furan-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 43341551
4-ethyl-1-[2-(oxan-4-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120688305
1-[[cyclopropyl(ethyl)carbamoyl]amino]-4-ethylcyclohexane-1-carboxylic acid
CID 61195802
4-ethyl-1-(hexanoylamino)cyclohexane-1-carboxylic acid
CID 43341491
1-(cyclopropylmethylamino)-4-ethylcyclohexane-1-carboxylic acid
CID 61001600

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 93298114) is 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)[C@@H]2CCCO2)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BPVPGOWWEJKHGH-CVZZAPKMSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-10-5-7-14(8-6-10,13(17)18)15-12(16)11-4-3-9-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)/t10?,11-,14?/m0/s1.
What are the key properties of 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(2S)-oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 93298114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).