2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid

C18H28N2O2 — CID 96552793

IUPAC2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-15(2)20(14-18(21)22)13-17-9-6-10-19(12-17)11-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyHCJFGBIEPUFHJP-QGZVFWFLSA-N
MW304.43 g/mol
LogP2.69
Rot. Bonds7

About 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid

2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid (PubChem CID 96552793) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
PubChem CID96552793
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-15(2)20(14-18(21)22)13-17-9-6-10-19(12-17)11-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyHCJFGBIEPUFHJP-QGZVFWFLSA-N
XLogP2.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(1-benzylpiperidin-3-yl)methyl]-N-propan-2-ylacetamide
CID 66565227
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
(2S)-2-amino-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-N-ethylpropanamide
CID 96553063
2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
CID 66565012
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-chloro-N-cyclopropylacetamide
CID 96553005
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]methanamine
CID 51598828
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
diethyl 2-[(1-benzylpiperidin-3-yl)methyl]propanedioate
CID 2780386
1-(1-benzylpiperidin-3-yl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]methanamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171672274

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid (CID 96552793) is 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid?
The InChIKey is HCJFGBIEPUFHJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15(2)20(14-18(21)22)13-17-9-6-10-19(12-17)11-16-7-4-3-5-8-16/h3-5,7-8,15,17H,6,9-14H2,1-2H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid?
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid has a molecular weight of 304.43 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 96552793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).