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

C14H29N3O2 — CID 105416899

IUPAC2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
SMILESCC(CC(C)(N)C(=O)O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H29N3O2/c1-11(9-13(2,15)12(18)19)17(5)10-14(16(3)4)7-6-8-14/h11H,6-10,15H2,1-5H3,(H,18,19)
InChIKeyYBYIIYNDDUGLND-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.98
Rot. Bonds7

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

2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid (PubChem CID 105416899) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
PubChem CID105416899
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid
SMILESCC(CC(C)(N)C(=O)O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H29N3O2/c1-11(9-13(2,15)12(18)19)17(5)10-14(16(3)4)7-6-8-14/h11H,6-10,15H2,1-5H3,(H,18,19)
InChIKeyYBYIIYNDDUGLND-UHFFFAOYSA-N
XLogP0.98
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanoic acid
CID 105416931
2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]propanamide
CID 105416404
2-amino-4-(dimethylamino)-2-methylpentanoic acid
CID 64725828
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pentanehydrazide
CID 105418482
1-N-tert-butyl-3-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-N-methylbutane-1,3-diamine
CID 105418002
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
4-amino-N-tert-butyl-3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]butanamide
CID 105414000
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 105418216
3-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,4-dimethylpentan-1-ol
CID 105414476
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
2-amino-4-[cyclopropyl(ethyl)amino]-2-methylpentanoic acid
CID 64728240

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid?
The IUPAC name of 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid (CID 105416899) is 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid.
What is the SMILES notation for 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid?
The canonical SMILES for 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid is CC(CC(C)(N)C(=O)O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid?
The InChIKey is YBYIIYNDDUGLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-11(9-13(2,15)12(18)19)17(5)10-14(16(3)4)7-6-8-14/h11H,6-10,15H2,1-5H3,(H,18,19).
What are the key properties of 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid?
2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid has a molecular weight of 271.40 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpentanoic acid is sourced from PubChem (CID 105416899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).