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

C17H24N2O2 — CID 129279859

IUPAC3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(21)8-11-19-9-6-14(7-10-19)18-16-12-15(16)13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2,(H,20,21)/t15-,16+/m0/s1
InChIKeyLNDJMWWJZRYBBL-JKSUJKDBSA-N
MW288.39 g/mol
LogP2.07
Rot. Bonds6

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

3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid (PubChem CID 129279859) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid
PubChem CID129279859
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C17H24N2O2/c20-17(21)8-11-19-9-6-14(7-10-19)18-16-12-15(16)13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2,(H,20,21)/t15-,16+/m0/s1
InChIKeyLNDJMWWJZRYBBL-JKSUJKDBSA-N
XLogP2.07
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(3,3,3-trifluoropropyl)azetidin-3-yl]acetic acid
CID 118292440
3-[[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]propanoic acid
CID 122640998
Incb-059872
CID 118290753
3-[[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]propanoic acid
CID 156019497
US9994546, Example 130
CID 118297937
US9670210, Example 31 1-{[4-(4-fluorobenzyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]methyl}cyclopropanecarboxylic acid
CID 118302786
US9670210, Example 32 1-{[4-(4-fluorobenzyl)-4-({[(1R,2S)-2-phenylcyclopropyl]amino}methyl)piperidin-1-yl]methyl}cyclobutanecarboxylic acid
CID 118302792
US10300051, Example 19
CID 118302887
US10300051, Example 8
CID 118302891
US10300051, Example 17
CID 118302892
US10300051, Example 20
CID 118302893
US10300051, Example 42
CID 118302897

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid (CID 129279859) is 3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid is O=C(O)CCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid?
The InChIKey is LNDJMWWJZRYBBL-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(21)8-11-19-9-6-14(7-10-19)18-16-12-15(16)13-4-2-1-3-5-13/h1-5,14-16,18H,6-12H2,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of 3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid?
3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]propanoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.07, 6 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]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 129279859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).