3-[dipropylcarbamoyl(methyl)amino]propanoic acid

C11H22N2O3 — CID 61183046

IUPAC3-[dipropylcarbamoyl(methyl)amino]propanoic acid
SMILESCCCN(CCC)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-7-13(8-5-2)11(16)12(3)9-6-10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyHIRSBMOEBQEJNG-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.63
Rot. Bonds7

About 3-[dipropylcarbamoyl(methyl)amino]propanoic acid

3-[dipropylcarbamoyl(methyl)amino]propanoic acid (PubChem CID 61183046) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[dipropylcarbamoyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[dipropylcarbamoyl(methyl)amino]propanoic acid
PubChem CID61183046
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[dipropylcarbamoyl(methyl)amino]propanoic acid
SMILESCCCN(CCC)C(=O)N(C)CCC(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-7-13(8-5-2)11(16)12(3)9-6-10(14)15/h4-9H2,1-3H3,(H,14,15)
InChIKeyHIRSBMOEBQEJNG-UHFFFAOYSA-N
XLogP1.63
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[dipropylcarbamoyl(methyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-hydroxyethyl(propyl)carbamoyl]-methylamino]acetic acid
CID 61425586
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
CID 61199001
1-(2-aminoethyl)-3-ethyl-3-methyl-1-propylurea
CID 79159621
butanoic acid;N,N-dimethylpropan-1-amine
CID 173099179
2-[[2-hydroxypropyl(methyl)carbamoyl]-propylamino]acetic acid
CID 62337174
3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61195850
3-[methyl(2-propylpentanoyl)amino]propanoic acid
CID 82985471
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61439567
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
CID 143432854
3-[[5-(diethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119232796
3-[carboxymethyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
CID 82327106
CID 88685642
CID 88685642

Frequently Asked Questions

What is the IUPAC name of 3-[dipropylcarbamoyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[dipropylcarbamoyl(methyl)amino]propanoic acid (CID 61183046) is 3-[dipropylcarbamoyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[dipropylcarbamoyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[dipropylcarbamoyl(methyl)amino]propanoic acid is CCCN(CCC)C(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[dipropylcarbamoyl(methyl)amino]propanoic acid?
The InChIKey is HIRSBMOEBQEJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-7-13(8-5-2)11(16)12(3)9-6-10(14)15/h4-9H2,1-3H3,(H,14,15).
What are the key properties of 3-[dipropylcarbamoyl(methyl)amino]propanoic acid?
3-[dipropylcarbamoyl(methyl)amino]propanoic acid has a molecular weight of 230.31 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dipropylcarbamoyl(methyl)amino]propanoic acid is sourced from PubChem (CID 61183046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).