1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid

C11H19NO2 — CID 103563390

IUPAC1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-7(2)8-5-11(6-8,10(13)14)12-9-3-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeySHSIDYDROMTMJQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds4

About 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid

1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid (PubChem CID 103563390) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
PubChem CID103563390
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
SMILESCC(C)C1CC(NC2CC2)(C(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-7(2)8-5-11(6-8,10(13)14)12-9-3-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeySHSIDYDROMTMJQ-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62704491
1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60998086
1-(2-azidoethylamino)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449457
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
1-(cyclopropylamino)-3-[methyl(3-methylbutan-2-yl)amino]cyclopentane-1-carboxylic acid
CID 79655123
1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
1-(4-chloroanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563503
4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 65075425
3-[butan-2-yl(ethyl)amino]-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79655033
1-(2-methylanilino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563434
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid (CID 103563390) is 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid is CC(C)C1CC(NC2CC2)(C(=O)O)C1.
What is the InChIKey of 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
The InChIKey is SHSIDYDROMTMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7(2)8-5-11(6-8,10(13)14)12-9-3-4-9/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid?
1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 103563390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).