[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid

C7H13N3O2 — CID 154997538

IUPAC[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid
SMILESO=C(O)NC1CN(C2CNC2)C1
InChIInChI=1S/C7H13N3O2/c11-7(12)9-5-3-10(4-5)6-1-8-2-6/h5-6,8-9H,1-4H2,(H,11,12)
InChIKeyOYNCJWMDJYXRKL-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.09
Rot. Bonds2

About [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid

[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid (PubChem CID 154997538) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid
PubChem CID154997538
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid
SMILESO=C(O)NC1CN(C2CNC2)C1
InChIInChI=1S/C7H13N3O2/c11-7(12)9-5-3-10(4-5)6-1-8-2-6/h5-6,8-9H,1-4H2,(H,11,12)
InChIKeyOYNCJWMDJYXRKL-UHFFFAOYSA-N
XLogP-1.09
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5S)-5-hydroxypiperidin-3-yl]carbamic acid
CID 174231588
[1-(azetidin-3-yl)pyrrolidin-3-yl]urea
CID 130611267
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
[1-[1-(cyclopropylmethyl)piperidin-4-yl]azetidin-3-yl]carbamic acid
CID 68558693
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538
1-(azetidin-3-yl)pyrrolidine-3,4-diol
CID 106674356
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266
[(8aS)-4-benzhydryl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-7-yl]carbamic acid;dihydrochloride
CID 70018645
[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid
CID 146599209
1-(azetidin-3-yl)piperidine-4-carboxylic acid
CID 146155819
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052
azetidin-3-ylurea
CID 66186769

Frequently Asked Questions

What is the IUPAC name of [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid?
The IUPAC name of [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid (CID 154997538) is [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid?
The canonical SMILES for [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid is O=C(O)NC1CN(C2CNC2)C1.
What is the InChIKey of [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid?
The InChIKey is OYNCJWMDJYXRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c11-7(12)9-5-3-10(4-5)6-1-8-2-6/h5-6,8-9H,1-4H2,(H,11,12).
What are the key properties of [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid?
[1-(azetidin-3-yl)azetidin-3-yl]carbamic acid has a molecular weight of 171.20 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(azetidin-3-yl)azetidin-3-yl]carbamic acid is sourced from PubChem (CID 154997538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).