(2R,3S)-5-methyliminopentane-1,2,3-triol

C6H13NO3 — CID 135301042

IUPAC(2R,3S)-5-methyliminopentane-1,2,3-triol
SMILESC/N=C/C[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO3/c1-7-3-2-5(9)6(10)4-8/h3,5-6,8-10H,2,4H2,1H3/b7-3+/t5-,6+/m0/s1
InChIKeyDXMFXYAKPOQOCT-GXVUIQDXSA-N
MW147.17 g/mol
LogP-1.21
Rot. Bonds4

About (2R,3S)-5-methyliminopentane-1,2,3-triol

(2R,3S)-5-methyliminopentane-1,2,3-triol (PubChem CID 135301042) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2R,3S)-5-methyliminopentane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3S)-5-methyliminopentane-1,2,3-triol
PubChem CID135301042
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2R,3S)-5-methyliminopentane-1,2,3-triol
SMILESC/N=C/C[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H13NO3/c1-7-3-2-5(9)6(10)4-8/h3,5-6,8-10H,2,4H2,1H3/b7-3+/t5-,6+/m0/s1
InChIKeyDXMFXYAKPOQOCT-GXVUIQDXSA-N
XLogP-1.21
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(3S,4R)-3,4,5-trihydroxypentanal;3,4,5-trihydroxypentanal
CID 155345176
(3S,4S)-3,4,5-trihydroxypentanal
CID 6994526
butane;butane-1,2,3,4-tetrol
CID 155273073
pentane-1,2,3-triol
CID 547785
bis((2R,3R)-butane-1,2,3,4-tetrol);1-sulfanylethanol
CID 161456248
(2S,3S)-pentane-1,2,3-triol
CID 11636797
(2R,3R,4R,5S)-6-deuterio-6-methyliminohexane-1,2,3,4,5-pentol
CID 175753792
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
1-N,1-N'-dimethyl-3-methyliminopropane-1,1-diamine
CID 139419572
aminophosphonic acid;3,4,5-trihydroxypentanal
CID 174567832
(5E,9E,13E)-6,10,14,18-tetramethylnonadeca-5,9,13,17-tetraene-1,2,3-triol
CID 121434427

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-methyliminopentane-1,2,3-triol?
The IUPAC name of (2R,3S)-5-methyliminopentane-1,2,3-triol (CID 135301042) is (2R,3S)-5-methyliminopentane-1,2,3-triol.
What is the SMILES notation for (2R,3S)-5-methyliminopentane-1,2,3-triol?
The canonical SMILES for (2R,3S)-5-methyliminopentane-1,2,3-triol is C/N=C/C[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3S)-5-methyliminopentane-1,2,3-triol?
The InChIKey is DXMFXYAKPOQOCT-GXVUIQDXSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7-3-2-5(9)6(10)4-8/h3,5-6,8-10H,2,4H2,1H3/b7-3+/t5-,6+/m0/s1.
What are the key properties of (2R,3S)-5-methyliminopentane-1,2,3-triol?
(2R,3S)-5-methyliminopentane-1,2,3-triol has a molecular weight of 147.17 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-methyliminopentane-1,2,3-triol is sourced from PubChem (CID 135301042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).