methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate

C9H17NO6 — CID 70795430

IUPACmethyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate
SMILESCOC(=O)C(N)C(O)[C@H]1O[C@@H](C)C(O)[C@@H]1O
InChIInChI=1S/C9H17NO6/c1-3-5(11)7(13)8(16-3)6(12)4(10)9(14)15-2/h3-8,11-13H,10H2,1-2H3/t3-,4?,5?,6?,7-,8+/m0/s1
InChIKeyHPANBLQVKKOSTP-DJUWVEJESA-N
MW235.24 g/mol
LogP-2.64
Rot. Bonds3

About methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate

methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate (PubChem CID 70795430) has the molecular formula C9H17NO6 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate
PubChem CID70795430
Molecular FormulaC9H17NO6
Molecular Weight235.24 g/mol
Exact Mass235.11
IUPAC Namemethyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate
SMILESCOC(=O)C(N)C(O)[C@H]1O[C@@H](C)C(O)[C@@H]1O
InChIInChI=1S/C9H17NO6/c1-3-5(11)7(13)8(16-3)6(12)4(10)9(14)15-2/h3-8,11-13H,10H2,1-2H3/t3-,4?,5?,6?,7-,8+/m0/s1
InChIKeyHPANBLQVKKOSTP-DJUWVEJESA-N
XLogP-2.64
TPSA122.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 5-2.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate?
The IUPAC name of methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate (CID 70795430) is methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate is COC(=O)C(N)C(O)[C@H]1O[C@@H](C)C(O)[C@@H]1O.
What is the InChIKey of methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate?
The InChIKey is HPANBLQVKKOSTP-DJUWVEJESA-N. The full InChI is InChI=1S/C9H17NO6/c1-3-5(11)7(13)8(16-3)6(12)4(10)9(14)15-2/h3-8,11-13H,10H2,1-2H3/t3-,4?,5?,6?,7-,8+/m0/s1.
What are the key properties of methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate?
methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate has a molecular weight of 235.24 g/mol, XLogP of -2.64, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[(2R,3S,5S)-3,4-dihydroxy-5-methyloxolan-2-yl]-3-hydroxypropanoate is sourced from PubChem (CID 70795430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).