(1S,2S)-2-amino-1-methoxypropane-1,3-diol

C4H11NO3 — CID 174342165

IUPAC(1S,2S)-2-amino-1-methoxypropane-1,3-diol
SMILESCO[C@H](O)[C@@H](N)CO
InChIInChI=1S/C4H11NO3/c1-8-4(7)3(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1
InChIKeyPZYYMIMRISBZAN-IMJSIDKUSA-N
MW121.14 g/mol
LogP-1.73
Rot. Bonds3

About (1S,2S)-2-amino-1-methoxypropane-1,3-diol

(1S,2S)-2-amino-1-methoxypropane-1,3-diol (PubChem CID 174342165) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is (1S,2S)-2-amino-1-methoxypropane-1,3-diol.

Molecular Properties

Compound Name(1S,2S)-2-amino-1-methoxypropane-1,3-diol
PubChem CID174342165
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name(1S,2S)-2-amino-1-methoxypropane-1,3-diol
SMILESCO[C@H](O)[C@@H](N)CO
InChIInChI=1S/C4H11NO3/c1-8-4(7)3(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1
InChIKeyPZYYMIMRISBZAN-IMJSIDKUSA-N
XLogP-1.73
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,5R)-1-methoxyhexane-1,2,3,4,5,6-hexol
CID 91131022
3-amino-1-methoxybutane-1,4-diol
CID 143333753
(2S)-2-amino-3-methylbutan-1-ol;2-amino-3-methylbutan-1-ol
CID 87115699
(2S,3R)-2-aminopentane-1,3-diol
CID 44561573
2-aminopropan-1-ol;hydrofluoride
CID 22617394
(2S,3R)-2-aminopent-4-yne-1,3-diol
CID 146631040
(2S,3S,5S,6S)-2,6-diaminoheptane-1,3,5,7-tetrol
CID 46884294
(2R,4R,5S)-5-amino-2,4,6-trihydroxy-1-methoxyhexan-3-one
CID 54374822
(1R)-1-aminoethane-1,2-diol
CID 140649256
2-amino-3-methylpent-4-yn-1-ol
CID 123553773
(2R,3S,4R)-2-aminohexane-1,3,4-triol
CID 89364894
(2S,3R)-2-amino-4-methylsulfanylbutane-1,3-diol
CID 86651329

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2-amino-1-methoxypropane-1,3-diol?
The IUPAC name of (1S,2S)-2-amino-1-methoxypropane-1,3-diol (CID 174342165) is (1S,2S)-2-amino-1-methoxypropane-1,3-diol.
What is the SMILES notation for (1S,2S)-2-amino-1-methoxypropane-1,3-diol?
The canonical SMILES for (1S,2S)-2-amino-1-methoxypropane-1,3-diol is CO[C@H](O)[C@@H](N)CO.
What is the InChIKey of (1S,2S)-2-amino-1-methoxypropane-1,3-diol?
The InChIKey is PZYYMIMRISBZAN-IMJSIDKUSA-N. The full InChI is InChI=1S/C4H11NO3/c1-8-4(7)3(5)2-6/h3-4,6-7H,2,5H2,1H3/t3-,4-/m0/s1.
What are the key properties of (1S,2S)-2-amino-1-methoxypropane-1,3-diol?
(1S,2S)-2-amino-1-methoxypropane-1,3-diol has a molecular weight of 121.14 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-amino-1-methoxypropane-1,3-diol is sourced from PubChem (CID 174342165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).