1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid

C10H17NO3 — CID 64744877

IUPAC1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC=O)(C(=O)O)CC1C
InChIInChI=1S/C10H17NO3/c1-7-3-4-10(9(13)14,11-6-12)5-8(7)2/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyRRGAINUVMNUKDD-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.01
Rot. Bonds3

About 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid

1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid (PubChem CID 64744877) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid
PubChem CID64744877
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid
SMILESCC1CCC(NC=O)(C(=O)O)CC1C
InChIInChI=1S/C10H17NO3/c1-7-3-4-10(9(13)14,11-6-12)5-8(7)2/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyRRGAINUVMNUKDD-UHFFFAOYSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-formamido-4-propylcyclohexane-1-carboxylic acid
CID 63687820
1-formamido-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756305
1-formamidocyclohexane-1-carboxylic acid
CID 61147418
1-(3-methoxyanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64744281
1-(2-chloroanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64745463
1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexane-1-carboxylic acid
CID 79049577
1-fluoro-3,4-dimethylcyclohexane-1-carboxylic acid
CID 89159789
methyl 1-(cyclohexylamino)-3,4-dimethylcyclohexane-1-carboxylate
CID 64746251
1-(methylamino)-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1-carboxylic acid
CID 79648508
3-formamido-1,1-dioxothiolane-3-carboxylic acid
CID 63689317
3-(3,5-dimethylpiperidin-1-yl)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79650405
1-[(2-methylcyclohexanecarbonyl)amino]cyclopropane-1-carboxylic acid
CID 122129367

Frequently Asked Questions

What is the IUPAC name of 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid (CID 64744877) is 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid is CC1CCC(NC=O)(C(=O)O)CC1C.
What is the InChIKey of 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is RRGAINUVMNUKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-3-4-10(9(13)14,11-6-12)5-8(7)2/h6-8H,3-5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid?
1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 199.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64744877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).