(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one

C16H29NO4 — CID 11493148

IUPAC(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@H]1CC(C)(C)OC(=O)N1C(=O)[C@H](C)[C@@H](O)C(C)C
InChIInChI=1S/C16H29NO4/c1-9(2)12-8-16(6,7)21-15(20)17(12)14(19)11(5)13(18)10(3)4/h9-13,18H,8H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyIPAGWJDMBVBQPF-UPJWGTAASA-N
MW299.41 g/mol
LogP2.81
Rot. Bonds4

About (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one

(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one (PubChem CID 11493148) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
PubChem CID11493148
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one
SMILESCC(C)[C@H]1CC(C)(C)OC(=O)N1C(=O)[C@H](C)[C@@H](O)C(C)C
InChIInChI=1S/C16H29NO4/c1-9(2)12-8-16(6,7)21-15(20)17(12)14(19)11(5)13(18)10(3)4/h9-13,18H,8H2,1-7H3/t11-,12-,13+/m1/s1
InChIKeyIPAGWJDMBVBQPF-UPJWGTAASA-N
XLogP2.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(4S)-3-[(2R,3S)-2-chloro-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13347887
(4S)-3-[(2R,3R)-3-hydroxy-2,4,4-trimethylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15706456
(4R,5S)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 12684921
(4S)-4-propan-2-yl-3-(3,3,3-trideuterio-2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 25239998
5,5-dimethyl-3-propan-2-yl-1,3-oxazolidin-2-one;ethane
CID 145346237
(4S)-3-(2-fluoropropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106963
(4S)-3-(2,2-dichloroacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 44889097
(3aS,5R,6S,6aR)-5-[(1R)-1,2-dimethoxyethyl]-3-[(2S,3R)-3-hydroxy-2,4-dimethylpentanoyl]-6-methoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]oxazol-2-one
CID 101017610
(4R)-3-[(2R,3S,4S)-3,5-dihydroxy-2,4-dimethylpentanoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 69363114
2-methyl-1-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pentane-1,3-dione
CID 10444361
(2S,3R)-3-hydroxy-2,4-dimethyl-1-(2-sulfanylidene-1,3-oxazolidin-3-yl)pentan-1-one
CID 10561511
(4S)-4-propan-2-yl-3-[(2S)-2-(trideuteriomethyl)butanoyl]-1,3-oxazolidin-2-one
CID 131667934

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one?
The IUPAC name of (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one (CID 11493148) is (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one.
What is the SMILES notation for (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one?
The canonical SMILES for (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one is CC(C)[C@H]1CC(C)(C)OC(=O)N1C(=O)[C@H](C)[C@@H](O)C(C)C.
What is the InChIKey of (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one?
The InChIKey is IPAGWJDMBVBQPF-UPJWGTAASA-N. The full InChI is InChI=1S/C16H29NO4/c1-9(2)12-8-16(6,7)21-15(20)17(12)14(19)11(5)13(18)10(3)4/h9-13,18H,8H2,1-7H3/t11-,12-,13+/m1/s1.
What are the key properties of (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one?
(4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one has a molecular weight of 299.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,3S)-3-hydroxy-2,4-dimethylpentanoyl]-6,6-dimethyl-4-propan-2-yl-1,3-oxazinan-2-one is sourced from PubChem (CID 11493148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).