3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid

C10H20N2O2 — CID 105416372

IUPAC3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
SMILESCN(C)C1(CNCCC(=O)O)CCC1
InChIInChI=1S/C10H20N2O2/c1-12(2)10(5-3-6-10)8-11-7-4-9(13)14/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyFGFGDHILADEKMK-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.54
Rot. Bonds6

About 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid

3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid (PubChem CID 105416372) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
PubChem CID105416372
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid
SMILESCN(C)C1(CNCCC(=O)O)CCC1
InChIInChI=1S/C10H20N2O2/c1-12(2)10(5-3-6-10)8-11-7-4-9(13)14/h11H,3-8H2,1-2H3,(H,13,14)
InChIKeyFGFGDHILADEKMK-UHFFFAOYSA-N
XLogP0.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic 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

5-[[1-(dimethylamino)cyclopentyl]methylamino]pentanoic acid
CID 103262326
methyl 4-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105416398
4-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylbutanamide
CID 105416919
methyl 4-[[1-(dimethylamino)cyclopentyl]methylamino]butanoate
CID 83121631
3-[[1-(dimethylamino)cyclobutyl]methylamino]-N'-hydroxypropanimidamide
CID 105418384
6-[[1-(dimethylamino)cyclopentyl]methylamino]-6-oxohexanoic acid
CID 83116908
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoyl-methylamino]acetic acid
CID 83120548
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(ethylamino)propanamide
CID 62836666
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]pentanedioic acid
CID 105419575
(E)-4-[[1-(dimethylamino)cyclobutyl]methylamino]but-2-enoic acid
CID 103268943
N-[[1-(dimethylamino)cyclobutyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 105416972
5-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]pentanoic acid
CID 105419709

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid?
The IUPAC name of 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid (CID 105416372) is 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid is CN(C)C1(CNCCC(=O)O)CCC1.
What is the InChIKey of 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid?
The InChIKey is FGFGDHILADEKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-12(2)10(5-3-6-10)8-11-7-4-9(13)14/h11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid?
3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid has a molecular weight of 200.28 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclobutyl]methylamino]propanoic acid is sourced from PubChem (CID 105416372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).