2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid

C11H20N2O3 — CID 52983761

IUPAC2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid
SMILESCC1CCCCN1CCC(=O)NCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-9-4-2-3-6-13(9)7-5-10(14)12-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyOIGZNMHYWJCNMZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds5

About 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid

2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid (PubChem CID 52983761) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid
PubChem CID52983761
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid
SMILESCC1CCCCN1CCC(=O)NCC(=O)O
InChIInChI=1S/C11H20N2O3/c1-9-4-2-3-6-13(9)7-5-10(14)12-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyOIGZNMHYWJCNMZ-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215711
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454
3-(4-chlorophenyl)-4-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215551
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
methyl 3-(2-methylazepan-1-yl)propanoate;hydrochloride
CID 20846518
2-[3-(azepan-1-yl)propanoylamino]acetic acid
CID 52983762
N-[(2R)-1-hydroxybutan-2-yl]-3-[(2S)-2-methylpiperidin-1-yl]propanamide
CID 124878185
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetic acid
CID 59404491
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
N-carbamoyl-2-[3-(2-methylpiperidin-1-yl)propylamino]acetamide
CID 43179746

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid (CID 52983761) is 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid is CC1CCCCN1CCC(=O)NCC(=O)O.
What is the InChIKey of 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid?
The InChIKey is OIGZNMHYWJCNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9-4-2-3-6-13(9)7-5-10(14)12-8-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid?
2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methylpiperidin-1-yl)propanoylamino]acetic acid is sourced from PubChem (CID 52983761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).