(5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C15H26N2O2 — CID 97223188

IUPAC(5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCC[C@@H](CC1CC1)NC(=O)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C15H26N2O2/c1-2-13(9-12-3-4-12)16-14(18)17-7-5-15(10-17)6-8-19-11-15/h12-13H,2-11H2,1H3,(H,16,18)/t13-,15-/m0/s1
InChIKeyDEEBDIZAEPDGQC-ZFWWWQNUSA-N
MW266.38 g/mol
LogP2.39
Rot. Bonds4

About (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97223188) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID97223188
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESCC[C@@H](CC1CC1)NC(=O)N1CC[C@]2(CCOC2)C1
InChIInChI=1S/C15H26N2O2/c1-2-13(9-12-3-4-12)16-14(18)17-7-5-15(10-17)6-8-19-11-15/h12-13H,2-11H2,1H3,(H,16,18)/t13-,15-/m0/s1
InChIKeyDEEBDIZAEPDGQC-ZFWWWQNUSA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97223188) is (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is CC[C@@H](CC1CC1)NC(=O)N1CC[C@]2(CCOC2)C1.
What is the InChIKey of (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is DEEBDIZAEPDGQC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-2-13(9-12-3-4-12)16-14(18)17-7-5-15(10-17)6-8-19-11-15/h12-13H,2-11H2,1H3,(H,16,18)/t13-,15-/m0/s1.
What are the key properties of (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 266.38 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(2S)-1-cyclopropylbutan-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97223188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).