4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid

C13H23NO4 — CID 104764733

IUPAC4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)CNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,18-3)8-14-11(15)9-4-6-10(7-5-9)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyIQHSVENECAONMM-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.42
Rot. Bonds5

About 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 104764733) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID104764733
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOC(C)(C)CNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C13H23NO4/c1-13(2,18-3)8-14-11(15)9-4-6-10(7-5-9)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyIQHSVENECAONMM-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methoxy-2-methylpropyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391338
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
4-[[2-(methanesulfonamido)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63858507
6-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 113257190
2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide
CID 113266935
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
N-(2-fluoro-2-methylbutyl)cyclopropanecarboxamide
CID 123444332
2-[[(2-methoxy-2-methylpropyl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 104763909
4-[[2-(2,6-dichlorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673517
4-(2-tert-butylsulfanylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 120674071

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 104764733) is 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid is COC(C)(C)CNC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is IQHSVENECAONMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2,18-3)8-14-11(15)9-4-6-10(7-5-9)12(16)17/h9-10H,4-8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 104764733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).