4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid

C16H33N3O2 — CID 105416931

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N(C)CC1(N(C)C)CCC1)C(=O)O
InChIInChI=1S/C16H33N3O2/c1-7-17-15(3,14(20)21)11-13(2)19(6)12-16(18(4)5)9-8-10-16/h13,17H,7-12H2,1-6H3,(H,20,21)
InChIKeyLONRWBJVEPODPW-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.63
Rot. Bonds9

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid (PubChem CID 105416931) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
PubChem CID105416931
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
SMILESCCNC(C)(CC(C)N(C)CC1(N(C)C)CCC1)C(=O)O
InChIInChI=1S/C16H33N3O2/c1-7-17-15(3,14(20)21)11-13(2)19(6)12-16(18(4)5)9-8-10-16/h13,17H,7-12H2,1-6H3,(H,20,21)
InChIKeyLONRWBJVEPODPW-UHFFFAOYSA-N
XLogP1.63
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid with MolForge

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Related Compounds

2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
CID 105416899
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
CID 105418002
4-[cyclopentyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64728207
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
CID 105418482
4-[cycloheptyl(methyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 64710589
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
4-[ethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64727424
2-cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)propanoic acid
CID 105416902
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
1-N-tert-butyl-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N,3-dimethylbutane-1,2-diamine
CID 105417765
2-[[1-(dimethylamino)cyclopentyl]methylcarbamoylamino]-2-methylbutanoic acid
CID 83121021

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid (CID 105416931) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid is CCNC(C)(CC(C)N(C)CC1(N(C)C)CCC1)C(=O)O.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid?
The InChIKey is LONRWBJVEPODPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-7-17-15(3,14(20)21)11-13(2)19(6)12-16(18(4)5)9-8-10-16/h13,17H,7-12H2,1-6H3,(H,20,21).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid has a molecular weight of 299.46 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 105416931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).