1-formamidocyclohexane-1-carboxylic acid

C8H13NO3 — CID 61147418

IUPAC1-formamidocyclohexane-1-carboxylic acid
SMILESO=CNC1(C(=O)O)CCCCC1
InChIInChI=1S/C8H13NO3/c10-6-9-8(7(11)12)4-2-1-3-5-8/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKeyCZVOLPGBEMVCRR-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds3

About 1-formamidocyclohexane-1-carboxylic acid

1-formamidocyclohexane-1-carboxylic acid (PubChem CID 61147418) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-formamidocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-formamidocyclohexane-1-carboxylic acid
PubChem CID61147418
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-formamidocyclohexane-1-carboxylic acid
SMILESO=CNC1(C(=O)O)CCCCC1
InChIInChI=1S/C8H13NO3/c10-6-9-8(7(11)12)4-2-1-3-5-8/h6H,1-5H2,(H,9,10)(H,11,12)
InChIKeyCZVOLPGBEMVCRR-UHFFFAOYSA-N
XLogP0.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
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

3-formamido-1,1-dioxothiolane-3-carboxylic acid
CID 63689317
1-formamido-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756305
1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 152629201
1-formamido-4-propylcyclohexane-1-carboxylic acid
CID 63687820
1-formamido-N-phenylcyclopentane-1-carboxamide
CID 15065028
1-formamido-3,4-dimethylcyclohexane-1-carboxylic acid
CID 64744877
1-[(2-cyclopentylacetyl)amino]cycloheptane-1-carboxylic acid
CID 60758045
2-formamidooxolane-2-carboxylic acid
CID 142369386
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(cyanoamino)cycloheptane-1-carboxylic acid
CID 164649141
1-(hexanoylamino)cycloheptane-1-carboxylic acid
CID 43341577
1-[(3-methyl-2-propan-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 114282150

Frequently Asked Questions

What is the IUPAC name of 1-formamidocyclohexane-1-carboxylic acid?
The IUPAC name of 1-formamidocyclohexane-1-carboxylic acid (CID 61147418) is 1-formamidocyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-formamidocyclohexane-1-carboxylic acid?
The canonical SMILES for 1-formamidocyclohexane-1-carboxylic acid is O=CNC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-formamidocyclohexane-1-carboxylic acid?
The InChIKey is CZVOLPGBEMVCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-6-9-8(7(11)12)4-2-1-3-5-8/h6H,1-5H2,(H,9,10)(H,11,12).
What are the key properties of 1-formamidocyclohexane-1-carboxylic acid?
1-formamidocyclohexane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamidocyclohexane-1-carboxylic acid is sourced from PubChem (CID 61147418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).