2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid

C11H23N3O2 — CID 63211113

IUPAC2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)CCN1CCCC1
InChIInChI=1S/C11H23N3O2/c1-13(7-4-10(12)11(15)16)8-9-14-5-2-3-6-14/h10H,2-9,12H2,1H3,(H,15,16)
InChIKeyAZLOHKRZLPAOQP-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.18
Rot. Bonds7

About 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid

2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid (PubChem CID 63211113) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
PubChem CID63211113
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
SMILESCN(CCC(N)C(=O)O)CCN1CCCC1
InChIInChI=1S/C11H23N3O2/c1-13(7-4-10(12)11(15)16)8-9-14-5-2-3-6-14/h10H,2-9,12H2,1H3,(H,15,16)
InChIKeyAZLOHKRZLPAOQP-UHFFFAOYSA-N
XLogP-0.18
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-pyrrolidin-1-ylethyl)amino]acetohydrazide
CID 63573409
N',2-dimethyl-N'-(2-pyrrolidin-1-ylethyl)butane-1,4-diamine
CID 81080728
(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
CID 165445053
5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanehydrazide
CID 63573579
1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 63207042
2-amino-4-[methyl(2-methylpropyl)amino]butanoic acid
CID 63028227
3-methyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-one
CID 79395842
2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
CID 67154957
2-amino-4-[2,2-dimethylpropyl(methyl)amino]butanoic acid
CID 63053244
N,N,N'-trimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 156728125
methyl 3-[methyl(2-piperidin-1-ylethyl)amino]propanoate
CID 62010889
2-(ethylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64791268

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid (CID 63211113) is 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid is CN(CCC(N)C(=O)O)CCN1CCCC1.
What is the InChIKey of 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid?
The InChIKey is AZLOHKRZLPAOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13(7-4-10(12)11(15)16)8-9-14-5-2-3-6-14/h10H,2-9,12H2,1H3,(H,15,16).
What are the key properties of 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid?
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid is sourced from PubChem (CID 63211113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).