(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one

C8H15NO2 — CID 134968305

IUPAC(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one
SMILESCC[C@H](C)[C@H]1CCOC(=O)N1
InChIInChI=1S/C8H15NO2/c1-3-6(2)7-4-5-11-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyOALURJUVRBKGFR-NKWVEPMBSA-N
MW157.21 g/mol
LogP1.53
Rot. Bonds2

About (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one

(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one (PubChem CID 134968305) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one
PubChem CID134968305
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one
SMILESCC[C@H](C)[C@H]1CCOC(=O)N1
InChIInChI=1S/C8H15NO2/c1-3-6(2)7-4-5-11-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7+/m0/s1
InChIKeyOALURJUVRBKGFR-NKWVEPMBSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propylpentyl N-cyclohexylcarbamate
CID 57342031
(4R)-4-[(1S)-1-fluoropropyl]-1,3-oxazinan-2-one
CID 134968378
Carbonic acid, monoamide, N-butyl-, 2-ethylhexyl ester
CID 15072171
(4R,6S)-4-ethyl-6-(2-methylpropyl)-1,3-oxazinan-2-one
CID 11389810
(4S,5S)-5-methyl-4-propan-2-yl-1,3-oxazinan-2-one
CID 102164344
(4R)-4-propyl-1,3-oxazinan-2-one
CID 162410725
Carbonic acid, monoamide, N-(hept-2-yl)-, 2-ethylhexyl ester
CID 91692978
Carbonic acid, monoamide, N-3-methylbutyl-, 2-ethylhexyl ester
CID 91714437
cyclopentylmethyl N-piperidin-4-ylcarbamate
CID 15676973
2-ethylhexyl N-propan-2-ylcarbamate
CID 20500804
5-Decyl-1,3-oxazinan-2-one
CID 22163713
tert-butyl N-[(3R)-1-methoxy-5-methylhexan-3-yl]carbamate
CID 57790351

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one?
The IUPAC name of (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one (CID 134968305) is (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one is CC[C@H](C)[C@H]1CCOC(=O)N1.
What is the InChIKey of (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one?
The InChIKey is OALURJUVRBKGFR-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-6(2)7-4-5-11-8(10)9-7/h6-7H,3-5H2,1-2H3,(H,9,10)/t6-,7+/m0/s1.
What are the key properties of (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one?
(4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one has a molecular weight of 157.21 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2S)-butan-2-yl]-1,3-oxazinan-2-one is sourced from PubChem (CID 134968305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).