3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid

C18H26N2O2 — CID 66571126

IUPAC3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-18(22)8-11-20-9-6-14(7-10-20)13-19-17-12-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,19H,6-13H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyLJDOTDPAWOWLPO-DLBZAZTESA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds7

About 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid

3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid (PubChem CID 66571126) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
PubChem CID66571126
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-18(22)8-11-20-9-6-14(7-10-20)13-19-17-12-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,19H,6-13H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyLJDOTDPAWOWLPO-DLBZAZTESA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
CID 174937674
N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 162640822
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
CID 175362326
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946
trans-(1R,2S)-2-phenyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]cyclopropan-1-amine
CID 66571066
3-[4-[(2-fluorophenyl)methyl]-4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 118290148
3-[4-[(2-fluorophenyl)methyl]-4-[[[(1R,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 144903187
4-[[4-[[[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 66571592
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
CID 94362410

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid (CID 66571126) is 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(CN[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid?
The InChIKey is LJDOTDPAWOWLPO-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(22)8-11-20-9-6-14(7-10-20)13-19-17-12-16(17)15-4-2-1-3-5-15/h1-5,14,16-17,19H,6-13H2,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid?
3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 66571126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).