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

C14H25N3O3 — CID 105419683

IUPAC2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H25N3O3/c1-15(2)14(7-4-8-14)10-16(3)13(20)17(9-12(18)19)11-5-6-11/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyIZQBARSCDZHBQF-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds6

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

2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid (PubChem CID 105419683) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
PubChem CID105419683
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid
SMILESCN(CC1(N(C)C)CCC1)C(=O)N(CC(=O)O)C1CC1
InChIInChI=1S/C14H25N3O3/c1-15(2)14(7-4-8-14)10-16(3)13(20)17(9-12(18)19)11-5-6-11/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyIZQBARSCDZHBQF-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid (CID 105419683) is 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid is CN(CC1(N(C)C)CCC1)C(=O)N(CC(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid?
The InChIKey is IZQBARSCDZHBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-15(2)14(7-4-8-14)10-16(3)13(20)17(9-12(18)19)11-5-6-11/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 105419683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).