2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid

C11H20N2O3 — CID 62212379

IUPAC2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCC1CCNCC1
InChIInChI=1S/C11H20N2O3/c1-13(8-11(15)16)10(14)3-2-9-4-6-12-7-5-9/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeySIVCVCBXHJKPPZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.31
Rot. Bonds5

About 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid

2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid (PubChem CID 62212379) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
PubChem CID62212379
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCC1CCNCC1
InChIInChI=1S/C11H20N2O3/c1-13(8-11(15)16)10(14)3-2-9-4-6-12-7-5-9/h9,12H,2-8H2,1H3,(H,15,16)
InChIKeySIVCVCBXHJKPPZ-UHFFFAOYSA-N
XLogP0.31
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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 55227726
N-(cyclobutylmethyl)-N-methyl-3-piperidin-4-ylpropanamide
CID 62860278
2-[butan-2-yl(3-piperidin-4-ylpropanoyl)amino]acetic acid
CID 62210937
N-methyl-3-piperidin-4-yl-N-propan-2-ylpropanamide
CID 62211368
N-methyl-N-pent-4-enyl-3-piperidin-4-ylpropanamide
CID 113343495
3-cyclopropyl-N-methyl-N-piperidin-4-ylpropanamide
CID 119441464
N-methyl-N-(3-methylbutan-2-yl)-3-piperidin-4-ylpropanamide
CID 62210167
N-butan-2-yl-N-methyl-3-piperidin-4-ylpropanamide
CID 62210682
methyl(2-piperidin-4-ylethyl)carbamic acid
CID 69061019
N-[(3,5-dichlorophenyl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62211961
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-piperidin-4-ylpropanamide
CID 62210566
N-ethyl-3-piperidin-4-yl-N-propylpropanamide
CID 62210157

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid (CID 62212379) is 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid is CN(CC(=O)O)C(=O)CCC1CCNCC1.
What is the InChIKey of 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid?
The InChIKey is SIVCVCBXHJKPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(8-11(15)16)10(14)3-2-9-4-6-12-7-5-9/h9,12H,2-8H2,1H3,(H,15,16).
What are the key properties of 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid?
2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-piperidin-4-ylpropanoyl)amino]acetic acid is sourced from PubChem (CID 62212379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).