(2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C17H30N2O3 — CID 135332831

IUPAC(2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)OCCN1CCC2(CC1)CN(C1CC1)C(=O)[C@H](C)O2
InChIInChI=1S/C17H30N2O3/c1-13(2)21-11-10-18-8-6-17(7-9-18)12-19(15-4-5-15)16(20)14(3)22-17/h13-15H,4-12H2,1-3H3/t14-/m0/s1
InChIKeySCSDRINUSSSSED-AWEZNQCLSA-N
MW310.44 g/mol
LogP1.66
Rot. Bonds5

About (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

(2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 135332831) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID135332831
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name(2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC(C)OCCN1CCC2(CC1)CN(C1CC1)C(=O)[C@H](C)O2
InChIInChI=1S/C17H30N2O3/c1-13(2)21-11-10-18-8-6-17(7-9-18)12-19(15-4-5-15)16(20)14(3)22-17/h13-15H,4-12H2,1-3H3/t14-/m0/s1
InChIKeySCSDRINUSSSSED-AWEZNQCLSA-N
XLogP1.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 135332831) is (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC(C)OCCN1CCC2(CC1)CN(C1CC1)C(=O)[C@H](C)O2.
What is the InChIKey of (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is SCSDRINUSSSSED-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13(2)21-11-10-18-8-6-17(7-9-18)12-19(15-4-5-15)16(20)14(3)22-17/h13-15H,4-12H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
(2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 310.44 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-cyclopropyl-2-methyl-9-(2-propan-2-yloxyethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 135332831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).