1-(cyclopropylamino)cyclododecane-1-carboxylic acid

C16H29NO2 — CID 43754451

IUPAC1-(cyclopropylamino)cyclododecane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCCCCCCCCCC1
InChIInChI=1S/C16H29NO2/c18-15(19)16(17-14-10-11-14)12-8-6-4-2-1-3-5-7-9-13-16/h14,17H,1-13H2,(H,18,19)
InChIKeyJWMZBMJLOGCZLS-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.87
Rot. Bonds3

About 1-(cyclopropylamino)cyclododecane-1-carboxylic acid

1-(cyclopropylamino)cyclododecane-1-carboxylic acid (PubChem CID 43754451) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)cyclododecane-1-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylamino)cyclododecane-1-carboxylic acid
PubChem CID43754451
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-(cyclopropylamino)cyclododecane-1-carboxylic acid
SMILESO=C(O)C1(NC2CC2)CCCCCCCCCCC1
InChIInChI=1S/C16H29NO2/c18-15(19)16(17-14-10-11-14)12-8-6-4-2-1-3-5-7-9-13-16/h14,17H,1-13H2,(H,18,19)
InChIKeyJWMZBMJLOGCZLS-UHFFFAOYSA-N
XLogP3.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-methylcyclohexyl)amino]cyclobutane-1-carboxylic acid
CID 81167483
1-(cyclopropylamino)cyclooctane-1-carboxamide
CID 60795922
4-(cycloheptylamino)thiane-4-carboxylic acid
CID 61319838
4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 65075425
3-(cyclohexylamino)-1,1-dioxothiane-3-carboxylic acid
CID 63911032
4-(cyclopentylamino)piperidine-4-carboxylic acid
CID 61243380
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
methyl 1-(cyclopropylamino)cyclopentane-1-carboxylate
CID 60796416
1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid
CID 64624848
3-cyclohexylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxylic acid
CID 79653391
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
CID 79649865

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)cyclododecane-1-carboxylic acid?
The IUPAC name of 1-(cyclopropylamino)cyclododecane-1-carboxylic acid (CID 43754451) is 1-(cyclopropylamino)cyclododecane-1-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylamino)cyclododecane-1-carboxylic acid?
The canonical SMILES for 1-(cyclopropylamino)cyclododecane-1-carboxylic acid is O=C(O)C1(NC2CC2)CCCCCCCCCCC1.
What is the InChIKey of 1-(cyclopropylamino)cyclododecane-1-carboxylic acid?
The InChIKey is JWMZBMJLOGCZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c18-15(19)16(17-14-10-11-14)12-8-6-4-2-1-3-5-7-9-13-16/h14,17H,1-13H2,(H,18,19).
What are the key properties of 1-(cyclopropylamino)cyclododecane-1-carboxylic acid?
1-(cyclopropylamino)cyclododecane-1-carboxylic acid has a molecular weight of 267.41 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)cyclododecane-1-carboxylic acid is sourced from PubChem (CID 43754451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).