3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid

C8H16N2O2 — CID 64693345

IUPAC3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1CCN(C(CN)C(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-6-2-3-10(5-6)7(4-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyCAPSKHXYSNGZAV-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.26
Rot. Bonds3

About 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid

3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid (PubChem CID 64693345) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
PubChem CID64693345
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid
SMILESCC1CCN(C(CN)C(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-6-2-3-10(5-6)7(4-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12)
InChIKeyCAPSKHXYSNGZAV-UHFFFAOYSA-N
XLogP-0.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-[3-(dimethylamino)pyrrolidin-1-yl]propanoic acid
CID 64695225
3-methoxy-2-(3-methylpyrrolidin-1-yl)propanoic acid
CID 103224568
3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
CID 102964894
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
3-amino-2-(4-ethoxypiperidin-1-yl)propanoic acid
CID 64693139
3-amino-2-(3-ethoxypiperidin-1-yl)propanoic acid
CID 64696034
3-(3-methylpyrrolidin-1-yl)butan-1-amine
CID 61224022
3-amino-2-(2-methylazepan-1-yl)propanoic acid
CID 64693147
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
CID 129445747
(2R)-2-[(3S)-3-(2-methylpropyl)pyrrolidin-1-yl]butanoic acid
CID 129401528
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid (CID 64693345) is 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid is CC1CCN(C(CN)C(=O)O)C1.
What is the InChIKey of 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid?
The InChIKey is CAPSKHXYSNGZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6-2-3-10(5-6)7(4-9)8(11)12/h6-7H,2-5,9H2,1H3,(H,11,12).
What are the key properties of 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid?
3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid has a molecular weight of 172.23 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-methylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 64693345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).