methyl N-(azetidine-1-carbonylamino)carbamate

C6H11N3O3 — CID 130618918

IUPACmethyl N-(azetidine-1-carbonylamino)carbamate
SMILESCOC(=O)NNC(=O)N1CCC1
InChIInChI=1S/C6H11N3O3/c1-12-6(11)8-7-5(10)9-3-2-4-9/h2-4H2,1H3,(H,7,10)(H,8,11)
InChIKeyTYRCNZHITLSORU-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.33
Rot. Bonds

About methyl N-(azetidine-1-carbonylamino)carbamate

methyl N-(azetidine-1-carbonylamino)carbamate (PubChem CID 130618918) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl N-(azetidine-1-carbonylamino)carbamate.

Molecular Properties

Compound Namemethyl N-(azetidine-1-carbonylamino)carbamate
PubChem CID130618918
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Namemethyl N-(azetidine-1-carbonylamino)carbamate
SMILESCOC(=O)NNC(=O)N1CCC1
InChIInChI=1S/C6H11N3O3/c1-12-6(11)8-7-5(10)9-3-2-4-9/h2-4H2,1H3,(H,7,10)(H,8,11)
InChIKeyTYRCNZHITLSORU-UHFFFAOYSA-N
XLogP-0.33
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxyazocane-1-carboxamide
CID 130891205
N-propan-2-ylazetidine-1-carboxamide
CID 126972093
1-(azetidin-1-yl)ethanone
CID 14061673
3-(methoxycarbonylamino)piperidine-1-carboxylic acid
CID 174735066
tert-butyl N-[2-(azepane-1-carbonylamino)ethyl]carbamate
CID 108864437
N-(3-butoxypropyl)azetidine-1-carboxamide
CID 71943747
methyl N-[1-(propan-2-ylcarbamoyl)piperidin-4-yl]carbamate
CID 110822365
N,4-dimethyl-1,4-diazepane-1-carboxamide
CID 59680276
CID 123683302
CID 123683302
methyl N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamate
CID 58449518
2-[2-oxo-2-(pyrrolidine-1-carbonylamino)ethoxy]acetic acid
CID 61328307
N-(2-chloropropanoyl)azetidine-1-carboxamide
CID 126980646

Frequently Asked Questions

What is the IUPAC name of methyl N-(azetidine-1-carbonylamino)carbamate?
The IUPAC name of methyl N-(azetidine-1-carbonylamino)carbamate (CID 130618918) is methyl N-(azetidine-1-carbonylamino)carbamate.
What is the SMILES notation for methyl N-(azetidine-1-carbonylamino)carbamate?
The canonical SMILES for methyl N-(azetidine-1-carbonylamino)carbamate is COC(=O)NNC(=O)N1CCC1.
What is the InChIKey of methyl N-(azetidine-1-carbonylamino)carbamate?
The InChIKey is TYRCNZHITLSORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-12-6(11)8-7-5(10)9-3-2-4-9/h2-4H2,1H3,(H,7,10)(H,8,11).
What are the key properties of methyl N-(azetidine-1-carbonylamino)carbamate?
methyl N-(azetidine-1-carbonylamino)carbamate has a molecular weight of 173.17 g/mol, XLogP of -0.33, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(azetidine-1-carbonylamino)carbamate is sourced from PubChem (CID 130618918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).