(2S,4R)-azetidine-2,4-dicarboxamide

C5H9N3O2 — CID 14654422

IUPAC(2S,4R)-azetidine-2,4-dicarboxamide
SMILESNC(=O)[C@@H]1C[C@H](C(N)=O)N1
InChIInChI=1S/C5H9N3O2/c6-4(9)2-1-3(8-2)5(7)10/h2-3,8H,1H2,(H2,6,9)(H2,7,10)/t2-,3+
InChIKeyUNEMLOZFCVXAKB-WSOKHJQSSA-N
MW143.15 g/mol
LogP-2.31
Rot. Bonds2

About (2S,4R)-azetidine-2,4-dicarboxamide

(2S,4R)-azetidine-2,4-dicarboxamide (PubChem CID 14654422) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is (2S,4R)-azetidine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2S,4R)-azetidine-2,4-dicarboxamide
PubChem CID14654422
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name(2S,4R)-azetidine-2,4-dicarboxamide
SMILESNC(=O)[C@@H]1C[C@H](C(N)=O)N1
InChIInChI=1S/C5H9N3O2/c6-4(9)2-1-3(8-2)5(7)10/h2-3,8H,1H2,(H2,6,9)(H2,7,10)/t2-,3+
InChIKeyUNEMLOZFCVXAKB-WSOKHJQSSA-N
XLogP-2.31
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-2.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5R)-pyrrolidine-2,5-dicarboxamide
CID 93496955
(3S,5S)-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 58594265
4-oxopiperidine-2,6-dicarboxamide
CID 78315101
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650
(2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 124506458
(2S)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 57059151
(2S,4R)-azetidine-2,4-dicarboxylic acid
CID 2733517
(2R,4R)-4-aminopyrrolidine-2-carboxamide
CID 58079537
4-aminopyrrolidine-2-carboxamide
CID 54213841
(2S)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 68860939
4,5-di(pyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 154995662
4-methylpyrrolidine-2-carboxamide;hydrochloride
CID 175423092

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-azetidine-2,4-dicarboxamide?
The IUPAC name of (2S,4R)-azetidine-2,4-dicarboxamide (CID 14654422) is (2S,4R)-azetidine-2,4-dicarboxamide.
What is the SMILES notation for (2S,4R)-azetidine-2,4-dicarboxamide?
The canonical SMILES for (2S,4R)-azetidine-2,4-dicarboxamide is NC(=O)[C@@H]1C[C@H](C(N)=O)N1.
What is the InChIKey of (2S,4R)-azetidine-2,4-dicarboxamide?
The InChIKey is UNEMLOZFCVXAKB-WSOKHJQSSA-N. The full InChI is InChI=1S/C5H9N3O2/c6-4(9)2-1-3(8-2)5(7)10/h2-3,8H,1H2,(H2,6,9)(H2,7,10)/t2-,3+.
What are the key properties of (2S,4R)-azetidine-2,4-dicarboxamide?
(2S,4R)-azetidine-2,4-dicarboxamide has a molecular weight of 143.15 g/mol, XLogP of -2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-azetidine-2,4-dicarboxamide is sourced from PubChem (CID 14654422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).