(2S,3R)-4-iminopentane-2,3-diol

C5H11NO2 — CID 87720952

IUPAC(2S,3R)-4-iminopentane-2,3-diol
SMILES[H]/N=C(\C)[C@@H](O)[C@H](C)O
InChIInChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h4-8H,1-2H3/b6-3+/t4-,5+/m0/s1
InChIKeyIPGUTJGAVCXDNV-GHHLHPAVSA-N
MW117.15 g/mol
LogP-0.23
Rot. Bonds2

About (2S,3R)-4-iminopentane-2,3-diol

(2S,3R)-4-iminopentane-2,3-diol (PubChem CID 87720952) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S,3R)-4-iminopentane-2,3-diol.

Molecular Properties

Compound Name(2S,3R)-4-iminopentane-2,3-diol
PubChem CID87720952
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S,3R)-4-iminopentane-2,3-diol
SMILES[H]/N=C(\C)[C@@H](O)[C@H](C)O
InChIInChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h4-8H,1-2H3/b6-3+/t4-,5+/m0/s1
InChIKeyIPGUTJGAVCXDNV-GHHLHPAVSA-N
XLogP-0.23
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-4-iminopentane-2,3-diol?
The IUPAC name of (2S,3R)-4-iminopentane-2,3-diol (CID 87720952) is (2S,3R)-4-iminopentane-2,3-diol.
What is the SMILES notation for (2S,3R)-4-iminopentane-2,3-diol?
The canonical SMILES for (2S,3R)-4-iminopentane-2,3-diol is [H]/N=C(\C)[C@@H](O)[C@H](C)O.
What is the InChIKey of (2S,3R)-4-iminopentane-2,3-diol?
The InChIKey is IPGUTJGAVCXDNV-GHHLHPAVSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(6)5(8)4(2)7/h4-8H,1-2H3/b6-3+/t4-,5+/m0/s1.
What are the key properties of (2S,3R)-4-iminopentane-2,3-diol?
(2S,3R)-4-iminopentane-2,3-diol has a molecular weight of 117.15 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-4-iminopentane-2,3-diol is sourced from PubChem (CID 87720952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).