2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid

C14H27N3O3 — CID 105419704

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27N3O3/c1-5-9-17(10-12(18)19)13(20)16(4)11-14(15(2)3)7-6-8-14/h5-11H2,1-4H3,(H,18,19)
InChIKeyGMURNZYSRWVAAT-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.32
Rot. Bonds7

About 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid (PubChem CID 105419704) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid
PubChem CID105419704
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27N3O3/c1-5-9-17(10-12(18)19)13(20)16(4)11-14(15(2)3)7-6-8-14/h5-11H2,1-4H3,(H,18,19)
InChIKeyGMURNZYSRWVAAT-UHFFFAOYSA-N
XLogP1.32
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 105419766
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 105419751
2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
CID 105419683
2-[tert-butyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
CID 105419669
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid
CID 105419686
2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid
CID 62337174
2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
CID 61199001
2-[[3-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]cyclobutyl]-ethylamino]acetic acid
CID 122026101
2-[[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]-propylamino]acetic acid
CID 63235476
2-[[methyl-[(2-methylphenyl)methyl]carbamoyl]-propylamino]acetic acid
CID 61412234
2-[[2-hydroxyethyl(propyl)carbamoyl]-propylamino]acetic acid
CID 55134962

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid (CID 105419704) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid?
The InChIKey is GMURNZYSRWVAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-9-17(10-12(18)19)13(20)16(4)11-14(15(2)3)7-6-8-14/h5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid is sourced from PubChem (CID 105419704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).