2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid

C20H29N3O2 — CID 118297914

IUPAC2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid
SMILESCN1CC(CC(=O)O)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1
InChIInChI=1S/C20H29N3O2/c1-22-13-20(14-22,12-19(24)25)23-9-7-16(8-10-23)21-18-11-17(18)15-5-3-2-4-6-15/h2-6,16-18,21H,7-14H2,1H3,(H,24,25)/t17?,18-/m1/s1
InChIKeyUUFGEUMETGJRQR-QRWMCTBCSA-N
MW343.47 g/mol
LogP1.76
Rot. Bonds6

About 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid

2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid (PubChem CID 118297914) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid
PubChem CID118297914
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid
SMILESCN1CC(CC(=O)O)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1
InChIInChI=1S/C20H29N3O2/c1-22-13-20(14-22,12-19(24)25)23-9-7-16(8-10-23)21-18-11-17(18)15-5-3-2-4-6-15/h2-6,16-18,21H,7-14H2,1H3,(H,24,25)/t17?,18-/m1/s1
InChIKeyUUFGEUMETGJRQR-QRWMCTBCSA-N
XLogP1.76
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid (CID 118297914) is 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid is CN1CC(CC(=O)O)(N2CCC(N[C@@H]3CC3c3ccccc3)CC2)C1.
What is the InChIKey of 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid?
The InChIKey is UUFGEUMETGJRQR-QRWMCTBCSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22-13-20(14-22,12-19(24)25)23-9-7-16(8-10-23)21-18-11-17(18)15-5-3-2-4-6-15/h2-6,16-18,21H,7-14H2,1H3,(H,24,25)/t17?,18-/m1/s1.
What are the key properties of 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid?
2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid has a molecular weight of 343.47 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-methyl-3-[4-[[(1R)-2-phenylcyclopropyl]amino]piperidin-1-yl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 118297914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).