3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid

C14H23NO4 — CID 65157180

IUPAC3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)CC2CCCO2)(C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-10-4-2-6-14(9-10,13(17)18)15-12(16)8-11-5-3-7-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyDCAJHZDTWXNZQS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.71
Rot. Bonds4

About 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid

3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 65157180) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID65157180
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCC(NC(=O)CC2CCCO2)(C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-10-4-2-6-14(9-10,13(17)18)15-12(16)8-11-5-3-7-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyDCAJHZDTWXNZQS-UHFFFAOYSA-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-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158596
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-[[2-(1-aminocyclobutyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 79853770
N-(1-carbamothioyl-4-methylcyclohexyl)-2-(oxolan-2-yl)acetamide
CID 65156767
3-methyl-1-(oxane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 62214759
(3S)-3-[[2-[(2S)-oxan-2-yl]acetyl]amino]thiolane-3-carboxylic acid
CID 124517285
methyl 3-methyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylate
CID 54889565
1-[(2-tert-butylsulfanylacetyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290328
1-(4-methoxypentanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 113382104
1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 55121392
1-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 61290338
1-[[2-(2-methoxyethylsulfanyl)acetyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61291087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 65157180) is 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid is CC1CCCC(NC(=O)CC2CCCO2)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DCAJHZDTWXNZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-4-2-6-14(9-10,13(17)18)15-12(16)8-11-5-3-7-19-11/h10-11H,2-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid?
3-methyl-1-[[2-(oxolan-2-yl)acetyl]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 3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65157180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).