1-(2,3-dihydroxypropyl)aziridine-2-carboxamide

C6H12N2O3 — CID 142680209

IUPAC1-(2,3-dihydroxypropyl)aziridine-2-carboxamide
SMILESNC(=O)C1CN1CC(O)CO
InChIInChI=1S/C6H12N2O3/c7-6(11)5-2-8(5)1-4(10)3-9/h4-5,9-10H,1-3H2,(H2,7,11)
InChIKeyWYDLYZJVEAJDGD-UHFFFAOYSA-N
MW160.17 g/mol
LogP-2.49
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide

1-(2,3-dihydroxypropyl)aziridine-2-carboxamide (PubChem CID 142680209) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)aziridine-2-carboxamide
PubChem CID142680209
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1-(2,3-dihydroxypropyl)aziridine-2-carboxamide
SMILESNC(=O)C1CN1CC(O)CO
InChIInChI=1S/C6H12N2O3/c7-6(11)5-2-8(5)1-4(10)3-9/h4-5,9-10H,1-3H2,(H2,7,11)
InChIKeyWYDLYZJVEAJDGD-UHFFFAOYSA-N
XLogP-2.49
TPSA86.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-2.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 82849638
1-(2-hydroxy-3-piperazin-1-ylpropyl)pyrrolidine-2-carboxamide
CID 65449436
propane-1,2,3-triol;urea;hydrate
CID 174420698
2-(2,3-dihydroxypropyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895475
1-(3-amino-2-hydroxypropyl)-6-methylpiperidine-3-carboxamide
CID 104643418
propane-1,1,3-triol;urea
CID 174547822
tert-butyl (2S)-1-(2,3-dihydroxypropyl)pyrrolidine-2-carboxylate
CID 82844513
ethyl 4-(2-carbamoylpyrrolidin-1-yl)-3-hydroxybutanoate
CID 82775121
3-(3-methylazetidin-1-yl)propane-1,2-diol
CID 104550367
(4R)-4,5-dihydroxypentanamide
CID 140573063
3-(2,5-dimethylpiperazin-1-yl)propane-1,2-diol
CID 82850214
1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
CID 57486049

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide?
The IUPAC name of 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide (CID 142680209) is 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide?
The canonical SMILES for 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide is NC(=O)C1CN1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide?
The InChIKey is WYDLYZJVEAJDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-6(11)5-2-8(5)1-4(10)3-9/h4-5,9-10H,1-3H2,(H2,7,11).
What are the key properties of 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide?
1-(2,3-dihydroxypropyl)aziridine-2-carboxamide has a molecular weight of 160.17 g/mol, XLogP of -2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)aziridine-2-carboxamide is sourced from PubChem (CID 142680209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).