2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid

C8H15NO5 — CID 134169460

IUPAC2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid
SMILESC[C@H]1O[C@H](CN)[C@@](O)(CC(=O)O)[C@H]1O
InChIInChI=1S/C8H15NO5/c1-4-7(12)8(13,2-6(10)11)5(3-9)14-4/h4-5,7,12-13H,2-3,9H2,1H3,(H,10,11)/t4-,5-,7+,8+/m1/s1
InChIKeyPCKMBLCYJFBZCW-KYNKHSRBSA-N
MW205.21 g/mol
LogP-1.70
Rot. Bonds3

About 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid

2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid (PubChem CID 134169460) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid
PubChem CID134169460
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid
SMILESC[C@H]1O[C@H](CN)[C@@](O)(CC(=O)O)[C@H]1O
InChIInChI=1S/C8H15NO5/c1-4-7(12)8(13,2-6(10)11)5(3-9)14-4/h4-5,7,12-13H,2-3,9H2,1H3,(H,10,11)/t4-,5-,7+,8+/m1/s1
InChIKeyPCKMBLCYJFBZCW-KYNKHSRBSA-N
XLogP-1.70
TPSA113.01 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid (CID 134169460) is 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid is C[C@H]1O[C@H](CN)[C@@](O)(CC(=O)O)[C@H]1O.
What is the InChIKey of 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid?
The InChIKey is PCKMBLCYJFBZCW-KYNKHSRBSA-N. The full InChI is InChI=1S/C8H15NO5/c1-4-7(12)8(13,2-6(10)11)5(3-9)14-4/h4-5,7,12-13H,2-3,9H2,1H3,(H,10,11)/t4-,5-,7+,8+/m1/s1.
What are the key properties of 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid?
2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid has a molecular weight of 205.21 g/mol, XLogP of -1.70, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R,4S,5R)-2-(aminomethyl)-3,4-dihydroxy-5-methyloxolan-3-yl]acetic acid is sourced from PubChem (CID 134169460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).