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

C20H28N2O2 — CID 155266125

IUPAC1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC2(CN[C@H]3C[C@@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N2O2/c23-19(24)16-6-10-22(11-7-16)14-20(8-9-20)13-21-18-12-17(18)15-4-2-1-3-5-15/h1-5,16-18,21H,6-14H2,(H,23,24)/t17-,18+/m1/s1
InChIKeyFVOWSZVVJYZGNB-MSOLQXFVSA-N
MW328.46 g/mol
LogP2.71
Rot. Bonds7

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

1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid (PubChem CID 155266125) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
PubChem CID155266125
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC2(CN[C@H]3C[C@@H]3c3ccccc3)CC2)CC1
InChIInChI=1S/C20H28N2O2/c23-19(24)16-6-10-22(11-7-16)14-20(8-9-20)13-21-18-12-17(18)15-4-2-1-3-5-15/h1-5,16-18,21H,6-14H2,(H,23,24)/t17-,18+/m1/s1
InChIKeyFVOWSZVVJYZGNB-MSOLQXFVSA-N
XLogP2.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid (CID 155266125) is 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(CC2(CN[C@H]3C[C@@H]3c3ccccc3)CC2)CC1.
What is the InChIKey of 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is FVOWSZVVJYZGNB-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(24)16-6-10-22(11-7-16)14-20(8-9-20)13-21-18-12-17(18)15-4-2-1-3-5-15/h1-5,16-18,21H,6-14H2,(H,23,24)/t17-,18+/m1/s1.
What are the key properties of 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid?
1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 328.46 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]cyclopropyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 155266125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).