(4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C17H29NO6 — CID 11279352

IUPAC(4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC1(C(C)(C)[C@H](O)CC(=O)N2C(=O)OC[C@@H]2C(C)C)OCCO1
InChIInChI=1S/C17H29NO6/c1-6-17(23-7-8-24-17)16(4,5)13(19)9-14(20)18-12(11(2)3)10-22-15(18)21/h11-13,19H,6-10H2,1-5H3/t12-,13-/m1/s1
InChIKeySZBUASCJBATDSW-CHWSQXEVSA-N
MW343.42 g/mol
LogP1.92
Rot. Bonds6

About (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 11279352) has the molecular formula C17H29NO6 and a molecular weight of 343.42 g/mol. Its IUPAC name is (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID11279352
Molecular FormulaC17H29NO6
Molecular Weight343.42 g/mol
Exact Mass343.20
IUPAC Name(4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC1(C(C)(C)[C@H](O)CC(=O)N2C(=O)OC[C@@H]2C(C)C)OCCO1
InChIInChI=1S/C17H29NO6/c1-6-17(23-7-8-24-17)16(4,5)13(19)9-14(20)18-12(11(2)3)10-22-15(18)21/h11-13,19H,6-10H2,1-5H3/t12-,13-/m1/s1
InChIKeySZBUASCJBATDSW-CHWSQXEVSA-N
XLogP1.92
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(S)-3-((2R,3R)-3-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl)-4-isopropyloxazolidin-2-one
CID 90281164
3-[(2R,3R)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90281165
(4S)-3-[(3R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-3-hydroxy-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 77106967
(4S)-3-[(4S,5S,6R)-6,7-dihydroxy-5-(methoxymethoxy)-4-methylheptanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10593757
(4S)-3-[(4S,5S)-5-[(4R)-2,2-diethyl-1,3-dioxolan-4-yl]-5-(methoxymethoxy)-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10716757
(4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methyl-2-methylsulfanylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11234664
(4S)-3-[(3S)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methyl-2-methylsulfanylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11395155
(4S)-3-[(3S)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11772275
(4R)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101069983
(4R)-3-[(3S)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 101069984

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 11279352) is (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCC1(C(C)(C)[C@H](O)CC(=O)N2C(=O)OC[C@@H]2C(C)C)OCCO1.
What is the InChIKey of (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is SZBUASCJBATDSW-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H29NO6/c1-6-17(23-7-8-24-17)16(4,5)13(19)9-14(20)18-12(11(2)3)10-22-15(18)21/h11-13,19H,6-10H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 343.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R)-4-(2-ethyl-1,3-dioxolan-2-yl)-3-hydroxy-4-methylpentanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11279352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).