2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid

C13H25N3O2 — CID 63165353

IUPAC2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
SMILESCCNC(CN1CCC(N2CCCC2)C1)C(=O)O
InChIInChI=1S/C13H25N3O2/c1-2-14-12(13(17)18)10-15-8-5-11(9-15)16-6-3-4-7-16/h11-12,14H,2-10H2,1H3,(H,17,18)
InChIKeySRWGKWCSDAUVCK-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.22
Rot. Bonds6

About 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid

2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid (PubChem CID 63165353) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
PubChem CID63165353
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
SMILESCCNC(CN1CCC(N2CCCC2)C1)C(=O)O
InChIInChI=1S/C13H25N3O2/c1-2-14-12(13(17)18)10-15-8-5-11(9-15)16-6-3-4-7-16/h11-12,14H,2-10H2,1H3,(H,17,18)
InChIKeySRWGKWCSDAUVCK-UHFFFAOYSA-N
XLogP0.22
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)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

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(ethylamino)propanoic acid
CID 79935238
ethyl 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoate
CID 63165522
2-(cyclopropylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 55159716
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(propylamino)propanoic acid
CID 79945371
2-(ethylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64791906
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(cyclopropylamino)propanoic acid
CID 79935240
1-cyclopentyl-N-ethyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 104746187
methyl 2-(cyclopropylamino)-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 63170968
1-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-ol
CID 55160321
3-hydroxy-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butanoic acid
CID 82770774
1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63170952
methyl 2-bromo-3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 81100758

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid (CID 63165353) is 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid is CCNC(CN1CCC(N2CCCC2)C1)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid?
The InChIKey is SRWGKWCSDAUVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-14-12(13(17)18)10-15-8-5-11(9-15)16-6-3-4-7-16/h11-12,14H,2-10H2,1H3,(H,17,18).
What are the key properties of 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid?
2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid has a molecular weight of 255.36 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 63165353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).