(3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid

C8H15NO3 — CID 59036333

IUPAC(3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid
SMILESC[C@@H]1[C@@H](CN)OC(C(=O)O)[C@@H]1C
InChIInChI=1S/C8H15NO3/c1-4-5(2)7(8(10)11)12-6(4)3-9/h4-7H,3,9H2,1-2H3,(H,10,11)/t4-,5+,6+,7?/m0/s1
InChIKeyZSJLYRGUKZOWLF-CUWOBHIPSA-N
MW173.21 g/mol
LogP0.07
Rot. Bonds2

About (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid

(3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid (PubChem CID 59036333) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid.

Molecular Properties

Compound Name(3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid
PubChem CID59036333
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid
SMILESC[C@@H]1[C@@H](CN)OC(C(=O)O)[C@@H]1C
InChIInChI=1S/C8H15NO3/c1-4-5(2)7(8(10)11)12-6(4)3-9/h4-7H,3,9H2,1-2H3,(H,10,11)/t4-,5+,6+,7?/m0/s1
InChIKeyZSJLYRGUKZOWLF-CUWOBHIPSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S,4S)-5-(aminomethyl)-3,4-dihydroxyoxolane-2-carboxylic acid
CID 129100417
(2S,3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carboxylic acid
CID 129100441
4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxane-2-carboxylic acid
CID 78039136
(2R,3R,4S,5R,6S)-6-[(fluoromethoxymethylideneamino)methyl]-3,4,5-trimethyloxane-2-carboxylic acid
CID 59036484
(3S,4S,5R)-6-aminooxy-3,4,5-trimethyloxane-2-carboxylic acid
CID 59036439
(2R,3R,4S,5S,6S)-3-acetamido-6-(aminomethyl)-N,4,5-trimethyloxane-2-carboxamide;methanethiol
CID 91407841
(3R)-3-propyloxirane-2-carboxylic acid
CID 54567542
(6S)-6-[[[(2R)-3-acetamido-6-(aminomethyl)-4,5-dimethyloxane-2-carbonyl]amino]methyl]-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(sulfanylcarbamoyl)oxan-2-yl]methyl]-3,4,5-trimethyloxane-2-carboxamide
CID 59949779
(2R,6S)-N-[[(2S,6R)-5-acetamido-3,4-dimethyl-6-(methylcarbamoyl)oxan-2-yl]methyl]-6-(aminomethyl)-3,4,5-trimethyloxane-2-carboxamide;molecular hydrogen
CID 91087100
6-[5-acetamido-2-(aminomethyl)-3-hydroxy-6-methoxyoxan-4-yl]oxy-4,5-dihydroxy-3-methyloxane-2-carboxylic acid
CID 121461353
sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
CID 175249214
2-(aminomethyl)-3-methylcyclopropane-1-carboxylic acid
CID 105427429

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid?
The IUPAC name of (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid (CID 59036333) is (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid.
What is the SMILES notation for (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid?
The canonical SMILES for (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid is C[C@@H]1[C@@H](CN)OC(C(=O)O)[C@@H]1C.
What is the InChIKey of (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid?
The InChIKey is ZSJLYRGUKZOWLF-CUWOBHIPSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-5(2)7(8(10)11)12-6(4)3-9/h4-7H,3,9H2,1-2H3,(H,10,11)/t4-,5+,6+,7?/m0/s1.
What are the key properties of (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid?
(3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid has a molecular weight of 173.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S)-5-(aminomethyl)-3,4-dimethyloxolane-2-carboxylic acid is sourced from PubChem (CID 59036333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).