2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid

C10H19N3O3 — CID 83019357

IUPAC2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCN(C)NC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C10H19N3O3/c1-13(2)12-9(16)11-7-10(4-3-5-10)6-8(14)15/h3-7H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyGHFUFXJKDKSTGS-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.41
Rot. Bonds5

About 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid

2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid (PubChem CID 83019357) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
PubChem CID83019357
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
SMILESCN(C)NC(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C10H19N3O3/c1-13(2)12-9(16)11-7-10(4-3-5-10)6-8(14)15/h3-7H2,1-2H3,(H,14,15)(H2,11,12,16)
InChIKeyGHFUFXJKDKSTGS-UHFFFAOYSA-N
XLogP0.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid 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

2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
1-[(dimethylaminocarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 83018157
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
CID 64686653
2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 103463370
2-[1-[[[methyl(pentan-3-yl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163219
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 102699640
2-[1-[[[(E)-but-2-enoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163727
2-[1-[[(2,3-dimethylcyclopentyl)carbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162990
2-[1-[[[1-cyclopropylethyl(methyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163012

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid (CID 83019357) is 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid is CN(C)NC(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is GHFUFXJKDKSTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-13(2)12-9(16)11-7-10(4-3-5-10)6-8(14)15/h3-7H2,1-2H3,(H,14,15)(H2,11,12,16).
What are the key properties of 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 83019357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).