(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one

C24H44N4O8 — CID 161481341

IUPAC(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one
SMILESC[C@@H]1[C@@H](C)OC(=O)[C@@H]1N.C[C@@H]1[C@H](C)OC(=O)[C@@H]1N.C[C@H]1[C@@H](C)OC(=O)[C@@H]1N.C[C@H]1[C@H](C)OC(=O)[C@@H]1N
InChIInChI=1S/4C6H11NO2/c4*1-3-4(2)9-6(8)5(3)7/h4*3-5H,7H2,1-2H3/t3-,4+,5+;3-,4+,5-;3-,4-,5+;3-,4-,5-/m0101/s1
InChIKeyWEJVQBRSINPZIL-MOIXZIHASA-N
MW516.64 g/mol
LogP-0.42
Rot. Bonds

About (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one

(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one (PubChem CID 161481341) has the molecular formula C24H44N4O8 and a molecular weight of 516.64 g/mol. Its IUPAC name is (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one
PubChem CID161481341
Molecular FormulaC24H44N4O8
Molecular Weight516.64 g/mol
Exact Mass516.32
IUPAC Name(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one
SMILESC[C@@H]1[C@@H](C)OC(=O)[C@@H]1N.C[C@@H]1[C@H](C)OC(=O)[C@@H]1N.C[C@H]1[C@@H](C)OC(=O)[C@@H]1N.C[C@H]1[C@H](C)OC(=O)[C@@H]1N
InChIInChI=1S/4C6H11NO2/c4*1-3-4(2)9-6(8)5(3)7/h4*3-5H,7H2,1-2H3/t3-,4+,5+;3-,4+,5-;3-,4-,5+;3-,4-,5-/m0101/s1
InChIKeyWEJVQBRSINPZIL-MOIXZIHASA-N
XLogP-0.42
TPSA209.28 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.64
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

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(3S,4R,5R)-3-hydroxy-4,5-dimethyloxolan-2-one
CID 130927474
(3R,4R)-4,5-dimethyl-2-methylideneoxolan-3-amine
CID 89103186
(3R,4R,5R,6R)-4-hydroxy-3,5,6-trimethyloxan-2-one
CID 58594793
(3S,4S)-3,4-dimethyloxetan-2-one
CID 12501630
ethyl (2R,3S,4S)-4-amino-2-methyl-5-oxooxolane-3-carboxylate
CID 22851703
CID 100946634
CID 100946634
N-[(3S,4R,5S)-4,5-dimethyl-2-oxooxolan-3-yl]formamide
CID 89219311
4-amino-5-methyl-1,3-dioxolan-2-one
CID 67944601
(4,5-dimethyl-2-oxooxolan-3-yl) 2-aminoprop-2-enoate
CID 163912374
(2S,3R,4S)-2,3-dimethyl-5-oxo-4-(sulfinoamino)oxolane
CID 89334107
3-amino-4-(aminomethyl)oxetan-2-one
CID 163943020

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one?
The IUPAC name of (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one (CID 161481341) is (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one?
The canonical SMILES for (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one is C[C@@H]1[C@@H](C)OC(=O)[C@@H]1N.C[C@@H]1[C@H](C)OC(=O)[C@@H]1N.C[C@H]1[C@@H](C)OC(=O)[C@@H]1N.C[C@H]1[C@H](C)OC(=O)[C@@H]1N.
What is the InChIKey of (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one?
The InChIKey is WEJVQBRSINPZIL-MOIXZIHASA-N. The full InChI is InChI=1S/4C6H11NO2/c4*1-3-4(2)9-6(8)5(3)7/h4*3-5H,7H2,1-2H3/t3-,4+,5+;3-,4+,5-;3-,4-,5+;3-,4-,5-/m0101/s1.
What are the key properties of (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one?
(3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one has a molecular weight of 516.64 g/mol, XLogP of -0.42, 0 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4S,5R)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5S)-3-amino-4,5-dimethyloxolan-2-one;(3R,4R,5R)-3-amino-4,5-dimethyloxolan-2-one is sourced from PubChem (CID 161481341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).