methyl N-(cyclopropylcarbamoylamino)carbamate

C6H11N3O3 — CID 131203587

IUPACmethyl N-(cyclopropylcarbamoylamino)carbamate
SMILESCOC(=O)NNC(=O)NC1CC1
InChIInChI=1S/C6H11N3O3/c1-12-6(11)9-8-5(10)7-4-2-3-4/h4H,2-3H2,1H3,(H,9,11)(H2,7,8,10)
InChIKeyHTRWAXRSZUNTCS-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.28
Rot. Bonds1

About methyl N-(cyclopropylcarbamoylamino)carbamate

methyl N-(cyclopropylcarbamoylamino)carbamate (PubChem CID 131203587) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl N-(cyclopropylcarbamoylamino)carbamate.

Molecular Properties

Compound Namemethyl N-(cyclopropylcarbamoylamino)carbamate
PubChem CID131203587
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Namemethyl N-(cyclopropylcarbamoylamino)carbamate
SMILESCOC(=O)NNC(=O)NC1CC1
InChIInChI=1S/C6H11N3O3/c1-12-6(11)9-8-5(10)7-4-2-3-4/h4H,2-3H2,1H3,(H,9,11)(H2,7,8,10)
InChIKeyHTRWAXRSZUNTCS-UHFFFAOYSA-N
XLogP-0.28
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
CID 144980876
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
methyl 4-(formamidocarbamoylamino)cyclohexane-1-carboxylate
CID 70075440
ethane;methyl N-(oxan-4-ylcarbamoyl)carbamate
CID 144904584
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
1-(4-fluorocyclohexyl)-3-methoxyurea
CID 130657399
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
1-cycloheptyl-3-methoxyurea
CID 126986046

Frequently Asked Questions

What is the IUPAC name of methyl N-(cyclopropylcarbamoylamino)carbamate?
The IUPAC name of methyl N-(cyclopropylcarbamoylamino)carbamate (CID 131203587) is methyl N-(cyclopropylcarbamoylamino)carbamate.
What is the SMILES notation for methyl N-(cyclopropylcarbamoylamino)carbamate?
The canonical SMILES for methyl N-(cyclopropylcarbamoylamino)carbamate is COC(=O)NNC(=O)NC1CC1.
What is the InChIKey of methyl N-(cyclopropylcarbamoylamino)carbamate?
The InChIKey is HTRWAXRSZUNTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-12-6(11)9-8-5(10)7-4-2-3-4/h4H,2-3H2,1H3,(H,9,11)(H2,7,8,10).
What are the key properties of methyl N-(cyclopropylcarbamoylamino)carbamate?
methyl N-(cyclopropylcarbamoylamino)carbamate has a molecular weight of 173.17 g/mol, XLogP of -0.28, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(cyclopropylcarbamoylamino)carbamate is sourced from PubChem (CID 131203587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).