[3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea

C10H20N4O2 — CID 4279103

IUPAC[3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea
SMILESCC1(C)C(CNC(N)=O)CC1CNC(N)=O
InChIInChI=1S/C10H20N4O2/c1-10(2)6(4-13-8(11)15)3-7(10)5-14-9(12)16/h6-7H,3-5H2,1-2H3,(H3,11,13,15)(H3,12,14,16)
InChIKeyGXJUBLWNWBCEIN-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.01
Rot. Bonds4

About [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea

[3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea (PubChem CID 4279103) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea.

Molecular Properties

Compound Name[3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea
PubChem CID4279103
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC Name[3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea
SMILESCC1(C)C(CNC(N)=O)CC1CNC(N)=O
InChIInChI=1S/C10H20N4O2/c1-10(2)6(4-13-8(11)15)3-7(10)5-14-9(12)16/h6-7H,3-5H2,1-2H3,(H3,11,13,15)(H3,12,14,16)
InChIKeyGXJUBLWNWBCEIN-UHFFFAOYSA-N
XLogP-0.01
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea?
The IUPAC name of [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea (CID 4279103) is [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea.
What is the SMILES notation for [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea?
The canonical SMILES for [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea is CC1(C)C(CNC(N)=O)CC1CNC(N)=O.
What is the InChIKey of [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea?
The InChIKey is GXJUBLWNWBCEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-10(2)6(4-13-8(11)15)3-7(10)5-14-9(12)16/h6-7H,3-5H2,1-2H3,(H3,11,13,15)(H3,12,14,16).
What are the key properties of [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea?
[3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea has a molecular weight of 228.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(carbamoylamino)methyl]-2,2-dimethylcyclobutyl]methylurea is sourced from PubChem (CID 4279103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).