(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide

C12H22N2O2 — CID 104856246

IUPAC(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide
SMILESNC1CCCCCC1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O2/c13-9-5-2-1-3-6-10(9)14-12(15)11-7-4-8-16-11/h9-11H,1-8,13H2,(H,14,15)/t9?,10?,11-/m0/s1
InChIKeyCHFWKGBGAWDKNP-ILDUYXDCSA-N
MW226.32 g/mol
LogP0.94
Rot. Bonds2

About (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide

(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide (PubChem CID 104856246) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide
PubChem CID104856246
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide
SMILESNC1CCCCCC1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O2/c13-9-5-2-1-3-6-10(9)14-12(15)11-7-4-8-16-11/h9-11H,1-8,13H2,(H,14,15)/t9?,10?,11-/m0/s1
InChIKeyCHFWKGBGAWDKNP-ILDUYXDCSA-N
XLogP0.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminocyclopentyl)oxane-2-carboxamide
CID 63251301
N-(2-aminocyclopropyl)oxane-2-carboxamide
CID 62214437
(2R)-N-[(1S,2S)-2-hydroxycyclohexyl]oxolane-2-carboxamide
CID 104956743
(2R)-N-[2-(aminomethyl)cyclopentyl]oxolane-2-carboxamide
CID 104856349
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
N-(2-aminocycloheptyl)oxane-4-carboxamide
CID 63258152
(2S)-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide
CID 130652257
N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]oxolane-2-carboxamide
CID 131176764
N-(2-methylcyclopropyl)oxane-2-carboxamide
CID 131084366
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
N-(2-aminocyclopentyl)cyclopentanecarboxamide
CID 63251373

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide (CID 104856246) is (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide is NC1CCCCCC1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide?
The InChIKey is CHFWKGBGAWDKNP-ILDUYXDCSA-N. The full InChI is InChI=1S/C12H22N2O2/c13-9-5-2-1-3-6-10(9)14-12(15)11-7-4-8-16-11/h9-11H,1-8,13H2,(H,14,15)/t9?,10?,11-/m0/s1.
What are the key properties of (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide?
(2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-aminocycloheptyl)oxolane-2-carboxamide is sourced from PubChem (CID 104856246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).