4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid

C21H30N2O2 — CID 155265856

IUPAC4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CC2(CNC3C[C@@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C21H30N2O2/c1-20(19(24)25)9-11-23(12-10-20)15-21(7-8-21)14-22-18-13-17(18)16-5-3-2-4-6-16/h2-6,17-18,22H,7-15H2,1H3,(H,24,25)/t17-,18?/m1/s1
InChIKeyXXYWUYHYECUCHX-QNSVNVJESA-N
MW342.48 g/mol
LogP3.10
Rot. Bonds7

About 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid

4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid (PubChem CID 155265856) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
PubChem CID155265856
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(CC2(CNC3C[C@@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C21H30N2O2/c1-20(19(24)25)9-11-23(12-10-20)15-21(7-8-21)14-22-18-13-17(18)16-5-3-2-4-6-16/h2-6,17-18,22H,7-15H2,1H3,(H,24,25)/t17-,18?/m1/s1
InChIKeyXXYWUYHYECUCHX-QNSVNVJESA-N
XLogP3.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid (CID 155265856) is 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid is CC1(C(=O)O)CCN(CC2(CNC3C[C@@H]3c3ccccc3)CC2)CC1.
What is the InChIKey of 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is XXYWUYHYECUCHX-QNSVNVJESA-N. The full InChI is InChI=1S/C21H30N2O2/c1-20(19(24)25)9-11-23(12-10-20)15-21(7-8-21)14-22-18-13-17(18)16-5-3-2-4-6-16/h2-6,17-18,22H,7-15H2,1H3,(H,24,25)/t17-,18?/m1/s1.
What are the key properties of 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid?
4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 342.48 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[1-[[[(2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 155265856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).