4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid

C12H24N2O2 — CID 124511772

IUPAC4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
SMILESCCN1CCC[C@H]1CN(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-14-9-4-6-11(14)10-13(2)8-5-7-12(15)16/h11H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyUGMISGDKQJDRPV-NSHDSACASA-N
MW228.34 g/mol
LogP1.27
Rot. Bonds7

About 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid

4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid (PubChem CID 124511772) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
PubChem CID124511772
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
SMILESCCN1CCC[C@H]1CN(C)CCCC(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-14-9-4-6-11(14)10-13(2)8-5-7-12(15)16/h11H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyUGMISGDKQJDRPV-NSHDSACASA-N
XLogP1.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]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

6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]hexanoic acid
CID 79314027
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
CID 105343821
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-3-methylbut-2-enoic acid
CID 79319274
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]thiophene-2-carboxylic acid
CID 79319599
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid?
The IUPAC name of 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid (CID 124511772) is 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid.
What is the SMILES notation for 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid?
The canonical SMILES for 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid is CCN1CCC[C@H]1CN(C)CCCC(=O)O.
What is the InChIKey of 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid?
The InChIKey is UGMISGDKQJDRPV-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-14-9-4-6-11(14)10-13(2)8-5-7-12(15)16/h11H,3-10H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid?
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid is sourced from PubChem (CID 124511772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).