3-(cycloheptylamino)oxolane-3-carboxylic acid

C12H21NO3 — CID 63333317

IUPAC3-(cycloheptylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(NC2CCCCCC2)CCOC1
InChIInChI=1S/C12H21NO3/c14-11(15)12(7-8-16-9-12)13-10-5-3-1-2-4-6-10/h10,13H,1-9H2,(H,14,15)
InChIKeyDHECLINNBUROKJ-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.54
Rot. Bonds3

About 3-(cycloheptylamino)oxolane-3-carboxylic acid

3-(cycloheptylamino)oxolane-3-carboxylic acid (PubChem CID 63333317) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 3-(cycloheptylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-(cycloheptylamino)oxolane-3-carboxylic acid
PubChem CID63333317
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name3-(cycloheptylamino)oxolane-3-carboxylic acid
SMILESO=C(O)C1(NC2CCCCCC2)CCOC1
InChIInChI=1S/C12H21NO3/c14-11(15)12(7-8-16-9-12)13-10-5-3-1-2-4-6-10/h10,13H,1-9H2,(H,14,15)
InChIKeyDHECLINNBUROKJ-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64891868
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
3-(1-cyclohexylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64892875
4-(cycloheptylamino)thiane-4-carboxylic acid
CID 61319838
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
(3R)-3-(methylamino)oxolane-3-carboxylic acid
CID 95380076
methyl 4-(cycloheptylamino)oxepane-4-carboxylate
CID 65079295
4-(cyclopentylamino)piperidine-4-carboxylic acid
CID 61243380
1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
ethyl 4-(cyclopentylamino)oxane-4-carboxylate
CID 54892867
3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)oxolane-3-carboxylic acid?
The IUPAC name of 3-(cycloheptylamino)oxolane-3-carboxylic acid (CID 63333317) is 3-(cycloheptylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 3-(cycloheptylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 3-(cycloheptylamino)oxolane-3-carboxylic acid is O=C(O)C1(NC2CCCCCC2)CCOC1.
What is the InChIKey of 3-(cycloheptylamino)oxolane-3-carboxylic acid?
The InChIKey is DHECLINNBUROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c14-11(15)12(7-8-16-9-12)13-10-5-3-1-2-4-6-10/h10,13H,1-9H2,(H,14,15).
What are the key properties of 3-(cycloheptylamino)oxolane-3-carboxylic acid?
3-(cycloheptylamino)oxolane-3-carboxylic acid has a molecular weight of 227.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 63333317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).