1-amino-3-(2,3-dimethylcyclobutyl)urea

C7H15N3O — CID 127009267

IUPAC1-amino-3-(2,3-dimethylcyclobutyl)urea
SMILESCC1CC(NC(=O)NN)C1C
InChIInChI=1S/C7H15N3O/c1-4-3-6(5(4)2)9-7(11)10-8/h4-6H,3,8H2,1-2H3,(H2,9,10,11)
InChIKeyUOSWUUIRXHMELZ-UHFFFAOYSA-N
MW157.22 g/mol
LogP0.20
Rot. Bonds1

About 1-amino-3-(2,3-dimethylcyclobutyl)urea

1-amino-3-(2,3-dimethylcyclobutyl)urea (PubChem CID 127009267) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-amino-3-(2,3-dimethylcyclobutyl)urea.

Molecular Properties

Compound Name1-amino-3-(2,3-dimethylcyclobutyl)urea
PubChem CID127009267
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-amino-3-(2,3-dimethylcyclobutyl)urea
SMILESCC1CC(NC(=O)NN)C1C
InChIInChI=1S/C7H15N3O/c1-4-3-6(5(4)2)9-7(11)10-8/h4-6H,3,8H2,1-2H3,(H2,9,10,11)
InChIKeyUOSWUUIRXHMELZ-UHFFFAOYSA-N
XLogP0.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-3-(2,3-dimethylcyclobutyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-(2-methylcyclopropyl)urea
CID 62408837
1-(2,3-dimethylcyclobutyl)-3-propan-2-ylurea
CID 131113753
2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide
CID 130892509
(2S)-2-amino-N-(2,3-dimethylcyclobutyl)-3-methylbutanamide
CID 130965044
N-(2,3-dimethylcyclobutyl)azetidine-3-carboxamide
CID 130847724
3-(2,3-dimethylcyclobutyl)-1-ethyl-1-methylurea
CID 130865499
1-amino-3-(3-methylcyclopentyl)urea
CID 114549381
N-buta-1,3-dien-2-yl-2,3-dimethylcyclobutan-1-amine
CID 155306452
1-[(1R,2R)-2-methylcyclopropyl]-3-propylurea
CID 130688362
2-methyl-2-[(2-methylcyclopropyl)carbamoylamino]propanoic acid
CID 62408052
1-amino-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 104881960
(2R)-2-amino-N-(2-methylcyclopropyl)propanamide
CID 62398561

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,3-dimethylcyclobutyl)urea?
The IUPAC name of 1-amino-3-(2,3-dimethylcyclobutyl)urea (CID 127009267) is 1-amino-3-(2,3-dimethylcyclobutyl)urea.
What is the SMILES notation for 1-amino-3-(2,3-dimethylcyclobutyl)urea?
The canonical SMILES for 1-amino-3-(2,3-dimethylcyclobutyl)urea is CC1CC(NC(=O)NN)C1C.
What is the InChIKey of 1-amino-3-(2,3-dimethylcyclobutyl)urea?
The InChIKey is UOSWUUIRXHMELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-4-3-6(5(4)2)9-7(11)10-8/h4-6H,3,8H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-amino-3-(2,3-dimethylcyclobutyl)urea?
1-amino-3-(2,3-dimethylcyclobutyl)urea has a molecular weight of 157.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,3-dimethylcyclobutyl)urea is sourced from PubChem (CID 127009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).