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

C18H26N2O2 — CID 129280542

IUPAC4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-18(22)7-4-10-20-11-8-15(9-12-20)19-17-13-16(17)14-5-2-1-3-6-14/h1-3,5-6,15-17,19H,4,7-13H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyOWIDNTIJYQSBGO-DLBZAZTESA-N
MW302.42 g/mol
LogP2.46
Rot. Bonds7

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

4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid (PubChem CID 129280542) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid
PubChem CID129280542
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-18(22)7-4-10-20-11-8-15(9-12-20)19-17-13-16(17)14-5-2-1-3-6-14/h1-3,5-6,15-17,19H,4,7-13H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyOWIDNTIJYQSBGO-DLBZAZTESA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-{4-Oxo-4-[(4-phenylbutan-2-yl)amino]butanoyl}piperidine-4-carboxylic acid
CID 16466297
2-[3-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]-1-(3,3,3-trifluoropropyl)azetidin-3-yl]acetic acid
CID 118292440
Incb-059872
CID 118290753
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
US10300051, Example 19
CID 118302887
US10300051, Example 8
CID 118302891
US10300051, Example 17
CID 118302892
US10300051, Example 20
CID 118302893
US10300051, Example 18
CID 118302925
US10300051, Example 16
CID 118302927
Methyl 3-(4-fluoro-4-(((trans-2-phenylcyclo-propyl)amino)methyl)piperidin-1-yl)-propionate
CID 130453520

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid (CID 129280542) is 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid is O=C(O)CCCN1CCC(N[C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid?
The InChIKey is OWIDNTIJYQSBGO-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(22)7-4-10-20-11-8-15(9-12-20)19-17-13-16(17)14-5-2-1-3-6-14/h1-3,5-6,15-17,19H,4,7-13H2,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid?
4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid has a molecular weight of 302.42 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 129280542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).