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

C14H27N3O4 — CID 105419766

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27N3O4/c1-15(2)14(6-5-7-14)11-16(3)13(20)17(8-9-21-4)10-12(18)19/h5-11H2,1-4H3,(H,18,19)
InChIKeyGIDKVZFFOAINSX-UHFFFAOYSA-N
MW301.39 g/mol
LogP0.56
Rot. Bonds8

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

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 105419766) has the molecular formula C14H27N3O4 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID105419766
Molecular FormulaC14H27N3O4
Molecular Weight301.39 g/mol
Exact Mass301.20
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27N3O4/c1-15(2)14(6-5-7-14)11-16(3)13(20)17(8-9-21-4)10-12(18)19/h5-11H2,1-4H3,(H,18,19)
InChIKeyGIDKVZFFOAINSX-UHFFFAOYSA-N
XLogP0.56
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-propylamino]acetic acid
CID 105419704
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
CID 105419751
2-[[(4-hydroxyoxan-4-yl)methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 114950961
2-[carboxymethyl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 63645121
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
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-[2-methoxyethyl-[methyl-[(1-methylpiperidin-4-yl)methyl]carbamoyl]amino]acetic acid
CID 79271648
2-[2-methoxyethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 79271541
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-methylamino]butanoic acid
CID 105419686
2-[[furan-2-ylmethyl(methyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79270355

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid (CID 105419766) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is GIDKVZFFOAINSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O4/c1-15(2)14(6-5-7-14)11-16(3)13(20)17(8-9-21-4)10-12(18)19/h5-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 105419766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).