N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide

C10H17NO3 — CID 11401374

IUPACN-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide
SMILESCCC[C@H]1OC(=O)[C@H](C)[C@@H]1NC(C)=O
InChIInChI=1S/C10H17NO3/c1-4-5-8-9(11-7(3)12)6(2)10(13)14-8/h6,8-9H,4-5H2,1-3H3,(H,11,12)/t6-,8-,9+/m1/s1
InChIKeyIBOGUCMPNLIAPQ-VDAHYXPESA-N
MW199.25 g/mol
LogP0.85
Rot. Bonds3

About N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide

N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide (PubChem CID 11401374) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide
PubChem CID11401374
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC NameN-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide
SMILESCCC[C@H]1OC(=O)[C@H](C)[C@@H]1NC(C)=O
InChIInChI=1S/C10H17NO3/c1-4-5-8-9(11-7(3)12)6(2)10(13)14-8/h6,8-9H,4-5H2,1-3H3,(H,11,12)/t6-,8-,9+/m1/s1
InChIKeyIBOGUCMPNLIAPQ-VDAHYXPESA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S,4S)-4-methyl-5-oxo-2-propyloxolane-3-carboxylic acid
CID 100992278
4-butyl-3-methyloxetan-2-one
CID 173294472
(3S,4R,5R)-5-(iodomethyl)-3-methyl-4-propyloxolan-2-one
CID 11076883
(2S,3R,4S)-2-ethyl-4-methyl-5-oxooxolane-3-carboxylic acid
CID 102013083
(1R,4R,5R)-4-propyl-3,6-dioxabicyclo[3.1.0]hexan-2-one
CID 10011998
(4S,5R,6R)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
CID 59511089
(3R,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-propyloxan-2-one;bis((3R,4R,5S,6S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-propyloxan-2-one);bis((3S,4S,5R,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-propyloxan-2-one);(3S,4S,5S,6R)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethyl-6-propyloxan-2-one
CID 162184369
methyl 8-(4-methyl-3-octyl-5-oxooxolan-2-yl)octanoate
CID 10883125
(3S,4S)-3-pentyl-4-propyloxetan-2-one
CID 86576801
(3S,4R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-one
CID 144754191
methyl (2S,3S,4R)-3-acetamido-4-ethylsulfanyl-5-oxooxolane-2-carboxylate
CID 10611428
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-methyl-2-oxooxan-3-yl]acetamide
CID 42627356

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide (CID 11401374) is N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide is CCC[C@H]1OC(=O)[C@H](C)[C@@H]1NC(C)=O.
What is the InChIKey of N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide?
The InChIKey is IBOGUCMPNLIAPQ-VDAHYXPESA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-5-8-9(11-7(3)12)6(2)10(13)14-8/h6,8-9H,4-5H2,1-3H3,(H,11,12)/t6-,8-,9+/m1/s1.
What are the key properties of N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide?
N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide has a molecular weight of 199.25 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R)-4-methyl-5-oxo-2-propyloxolan-3-yl]acetamide is sourced from PubChem (CID 11401374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).