2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid

C21H24N2O4 — CID 155209815

IUPAC2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid
SMILESO=C(NC(C(=O)O)C1CCN(c2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c24-20(25)19(22-21(26)27-15-16-7-3-1-4-8-16)17-11-13-23(14-12-17)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H,22,26)(H,24,25)
InChIKeyHYXALCCEUYGHPF-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.28
Rot. Bonds6

About 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid

2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid (PubChem CID 155209815) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid
PubChem CID155209815
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid
SMILESO=C(NC(C(=O)O)C1CCN(c2ccccc2)CC1)OCc1ccccc1
InChIInChI=1S/C21H24N2O4/c24-20(25)19(22-21(26)27-15-16-7-3-1-4-8-16)17-11-13-23(14-12-17)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H,22,26)(H,24,25)
InChIKeyHYXALCCEUYGHPF-UHFFFAOYSA-N
XLogP3.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylcyclohexyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103686698
2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309313
(2S)-2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2-(phenylmethoxycarbonylamino)acetic acid
CID 93077885
tert-butyl 4-[2-methoxy-2-oxo-1-(phenylmethoxycarbonylamino)ethyl]piperidine-1-carboxylate
CID 73084885
(2S)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 54104350
benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
(2,5-dioxopyrrolidin-1-yl) (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
CID 154815014
ethyl 2-(2-oxocyclopentyl)-2-(phenylmethoxycarbonylamino)acetate
CID 162397266
methyl (2S)-1-[2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate
CID 154984761
2-(6-oxaspiro[4.5]decan-9-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 103739444
methyl (2S)-2-(4,4-difluorocyclohexyl)-2-(phenylmethoxycarbonylamino)acetate
CID 59450007
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid?
The IUPAC name of 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid (CID 155209815) is 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid is O=C(NC(C(=O)O)C1CCN(c2ccccc2)CC1)OCc1ccccc1.
What is the InChIKey of 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid?
The InChIKey is HYXALCCEUYGHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-20(25)19(22-21(26)27-15-16-7-3-1-4-8-16)17-11-13-23(14-12-17)18-9-5-2-6-10-18/h1-10,17,19H,11-15H2,(H,22,26)(H,24,25).
What are the key properties of 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid?
2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid has a molecular weight of 368.43 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxycarbonylamino)-2-(1-phenylpiperidin-4-yl)acetic acid is sourced from PubChem (CID 155209815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).