N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide

C8H15NO5 — CID 134250543

IUPACN-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide
SMILESO=CNCCO[C@@H]1OCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO5/c10-5-9-2-4-14-8-7(12)6(11)1-3-13-8/h5-8,11-12H,1-4H2,(H,9,10)/t6-,7+,8+/m1/s1
InChIKeyHNSRXHDYUHUVBL-CSMHCCOUSA-N
MW205.21 g/mol
LogP-1.78
Rot. Bonds5

About N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide

N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide (PubChem CID 134250543) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide.

Molecular Properties

Compound NameN-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide
PubChem CID134250543
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide
SMILESO=CNCCO[C@@H]1OCC[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO5/c10-5-9-2-4-14-8-7(12)6(11)1-3-13-8/h5-8,11-12H,1-4H2,(H,9,10)/t6-,7+,8+/m1/s1
InChIKeyHNSRXHDYUHUVBL-CSMHCCOUSA-N
XLogP-1.78
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide?
The IUPAC name of N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide (CID 134250543) is N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide.
What is the SMILES notation for N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide?
The canonical SMILES for N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide is O=CNCCO[C@@H]1OCC[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide?
The InChIKey is HNSRXHDYUHUVBL-CSMHCCOUSA-N. The full InChI is InChI=1S/C8H15NO5/c10-5-9-2-4-14-8-7(12)6(11)1-3-13-8/h5-8,11-12H,1-4H2,(H,9,10)/t6-,7+,8+/m1/s1.
What are the key properties of N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide?
N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide has a molecular weight of 205.21 g/mol, XLogP of -1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,3S,4R)-3,4-dihydroxyoxan-2-yl]oxyethyl]formamide is sourced from PubChem (CID 134250543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).