2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid

C12H24N2O2 — CID 106616013

IUPAC2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
SMILESCCCN(CC1CCCN1)CC(C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-7-14(8-10(2)12(15)16)9-11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyZXVXTNLQLXDXIR-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.17
Rot. Bonds7

About 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid

2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid (PubChem CID 106616013) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
PubChem CID106616013
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
SMILESCCCN(CC1CCCN1)CC(C)C(=O)O
InChIInChI=1S/C12H24N2O2/c1-3-7-14(8-10(2)12(15)16)9-11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,15,16)
InChIKeyZXVXTNLQLXDXIR-UHFFFAOYSA-N
XLogP1.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
1-cyclopentyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106615678
2-methyl-3-[oxolan-2-ylmethyl(propyl)amino]propanoic acid
CID 82328121
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
CID 106605331
N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
N,N-dimethyl-N'-propyl-N'-[[(2S)-pyrrolidin-2-yl]methyl]ethane-1,2-diamine
CID 104870166
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037
N-(2-methylpropylcarbamoyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615591
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
N-propyl-N-(pyrrolidin-2-ylmethyl)but-2-yn-1-amine
CID 106615913

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid (CID 106616013) is 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid is CCCN(CC1CCCN1)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
The InChIKey is ZXVXTNLQLXDXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-7-14(8-10(2)12(15)16)9-11-5-4-6-13-11/h10-11,13H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid?
2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid has a molecular weight of 228.34 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 106616013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).