4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid

C13H24N2O4 — CID 61189226

IUPAC4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC1CN(C(=O)N(CCCC(=O)O)C(C)C)CCO1
InChIInChI=1S/C13H24N2O4/c1-10(2)15(6-4-5-12(16)17)13(18)14-7-8-19-11(3)9-14/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyJWONXZVAIGJYBQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.40
Rot. Bonds5

About 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid

4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 61189226) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID61189226
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC1CN(C(=O)N(CCCC(=O)O)C(C)C)CCO1
InChIInChI=1S/C13H24N2O4/c1-10(2)15(6-4-5-12(16)17)13(18)14-7-8-19-11(3)9-14/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyJWONXZVAIGJYBQ-UHFFFAOYSA-N
XLogP1.40
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic 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

4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834906
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63616366
4-[(4-methylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61188093
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]amino]butanoic acid
CID 43473794
(3S,4S)-4-amino-1-[3-carboxypropyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278237
4-[[3-(2-hydroxyethyl)piperidine-1-carbonyl]-propan-2-ylamino]butanoic acid
CID 107228340
4-[(4-ethylpiperazine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 61189767
3-[(3,4-dimethylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 79181857
(3S,4S)-4-amino-1-[4-carboxybutyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278238
N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]butanoic acid
CID 63162238
3-[(5-ethyl-2-methylmorpholine-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 61424912

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid (CID 61189226) is 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid is CC1CN(C(=O)N(CCCC(=O)O)C(C)C)CCO1.
What is the InChIKey of 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is JWONXZVAIGJYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-10(2)15(6-4-5-12(16)17)13(18)14-7-8-19-11(3)9-14/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylmorpholine-4-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61189226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).