3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid

C14H23NO3 — CID 64622991

IUPAC3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)N(C=O)C1(C(=O)O)CCCC(C2CC2)C1
InChIInChI=1S/C14H23NO3/c1-10(2)15(9-16)14(13(17)18)7-3-4-12(8-14)11-5-6-11/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyFFUGWMMZUAJMEW-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.28
Rot. Bonds5

About 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid

3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64622991) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID64622991
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid
SMILESCC(C)N(C=O)C1(C(=O)O)CCCC(C2CC2)C1
InChIInChI=1S/C14H23NO3/c1-10(2)15(9-16)14(13(17)18)7-3-4-12(8-14)11-5-6-11/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyFFUGWMMZUAJMEW-UHFFFAOYSA-N
XLogP2.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[formyl(propan-2-yl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085666
4-[formyl(propan-2-yl)amino]thiane-4-carboxylic acid
CID 63705095
1-[formyl(methyl)amino]-3-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 107429324
1-[methyl(propan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 82236388
4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid
CID 114244759
4-tert-butyl-1-[formyl(methyl)amino]cycloheptane-1-carboxylic acid
CID 65094924
1-[formyl(methyl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085718
4-tert-butyl-1-[cyclopropyl(formyl)amino]cycloheptane-1-carboxylic acid
CID 65094977
3-cyclopropyl-1-(4-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 65419883
1-[methyl(propan-2-yl)amino]cyclopropane-1-carboxylic acid
CID 58838583
3-cyclopropyl-1-propan-2-ylcyclohexan-1-amine
CID 64595245
4-[formyl(methyl)amino]-1-propan-2-ylazepane-4-carboxylic acid
CID 65076114

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid (CID 64622991) is 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid is CC(C)N(C=O)C1(C(=O)O)CCCC(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FFUGWMMZUAJMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-10(2)15(9-16)14(13(17)18)7-3-4-12(8-14)11-5-6-11/h9-12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid?
3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64622991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).