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

C14H25N3O3 — CID 105419751

IUPAC2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H25N3O3/c1-5-9-17(10-12(18)19)13(20)16(4)11-14(15(2)3)7-6-8-14/h5H,1,6-11H2,2-4H3,(H,18,19)
InChIKeyNWTUXAJBPKCRDO-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.10
Rot. Bonds7

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

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid (PubChem CID 105419751) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
PubChem CID105419751
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H25N3O3/c1-5-9-17(10-12(18)19)13(20)16(4)11-14(15(2)3)7-6-8-14/h5H,1,6-11H2,2-4H3,(H,18,19)
InChIKeyNWTUXAJBPKCRDO-UHFFFAOYSA-N
XLogP1.10
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid (CID 105419751) is 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)C(=O)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid?
The InChIKey is NWTUXAJBPKCRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-5-9-17(10-12(18)19)13(20)16(4)11-14(15(2)3)7-6-8-14/h5H,1,6-11H2,2-4H3,(H,18,19).
What are the key properties of 2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid?
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylcarbamoyl]-prop-2-enylamino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.10, 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]-prop-2-enylamino]acetic acid is sourced from PubChem (CID 105419751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).