3-[methyl(pyrrolidin-3-yl)amino]propanoic acid

C8H16N2O2 — CID 63301426

IUPAC3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
SMILESCN(CCC(=O)O)C1CCNC1
InChIInChI=1S/C8H16N2O2/c1-10(5-3-8(11)12)7-2-4-9-6-7/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyYQIIYVSQWKEZJB-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.25
Rot. Bonds4

About 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid

3-[methyl(pyrrolidin-3-yl)amino]propanoic acid (PubChem CID 63301426) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
PubChem CID63301426
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[methyl(pyrrolidin-3-yl)amino]propanoic acid
SMILESCN(CCC(=O)O)C1CCNC1
InChIInChI=1S/C8H16N2O2/c1-10(5-3-8(11)12)7-2-4-9-6-7/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyYQIIYVSQWKEZJB-UHFFFAOYSA-N
XLogP-0.25
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
ethyl 3-[methyl(piperidin-3-yl)amino]propanoate
CID 84755502
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
N-(2,5-dichlorophenyl)-3-[methyl(pyrrolidin-3-yl)amino]propanamide
CID 63297992
methane;(3R)-N-methyl-N-(3,3,3-trifluoropropyl)pyrrolidin-3-amine
CID 157275327
1-[2-[methyl(pyrrolidin-3-yl)amino]ethyl]cyclopropan-1-ol
CID 84659730
2-[methyl(pyrrolidin-3-yl)amino]ethanesulfinate
CID 84664322
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N-(2-acetamidoethyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301776
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301635
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
CID 119550914

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid (CID 63301426) is 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid is CN(CCC(=O)O)C1CCNC1.
What is the InChIKey of 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid?
The InChIKey is YQIIYVSQWKEZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(5-3-8(11)12)7-2-4-9-6-7/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid?
3-[methyl(pyrrolidin-3-yl)amino]propanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyrrolidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 63301426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).