2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid

C11H20N2O3 — CID 79615727

IUPAC2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
SMILESCNC(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-8(12-2)11(16)13-5-3-9(4-6-13)7-10(14)15/h8-9,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyGQYVUOYOKJPLRM-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds4

About 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid

2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid (PubChem CID 79615727) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
PubChem CID79615727
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
SMILESCNC(C)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H20N2O3/c1-8(12-2)11(16)13-5-3-9(4-6-13)7-10(14)15/h8-9,12H,3-7H2,1-2H3,(H,14,15)
InChIKeyGQYVUOYOKJPLRM-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2S)-2-(furan-3-carbonylamino)propanoyl]piperidin-4-yl]acetic acid
CID 129467141
2-[1-[(1-amino-1-oxopropan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608340
2-[1-(3-methoxy-2-methylpropanoyl)piperidin-4-yl]acetic acid
CID 119178205
2-[1-(2-aminobutanoyl)piperidin-4-yl]acetic acid
CID 79615163
2-[4-[2-(methylamino)propanoyl]piperazin-1-yl]acetic acid
CID 62638618
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
2-[1-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]piperidin-4-yl]acetic acid
CID 106917160
2-[1-[methyl-[2-(methylamino)ethyl]carbamoyl]piperidin-4-yl]acetic acid
CID 79605780
2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid
CID 120515338
2-[1-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl]piperidin-4-yl]acetic acid
CID 103112547
2-[1-[2-(propylamino)acetyl]piperidin-4-yl]acetic acid
CID 79615592

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid (CID 79615727) is 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid is CNC(C)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid?
The InChIKey is GQYVUOYOKJPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(12-2)11(16)13-5-3-9(4-6-13)7-10(14)15/h8-9,12H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid?
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79615727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).