2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine

C19H23NO7 — CID 126460371

IUPAC2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine
SMILESO=C(O)C(O)C(=O)O.c1ccc(Oc2ccc(CN3CCCCC3)o2)cc1
InChIInChI=1S/C16H19NO2.C3H4O5/c1-3-7-14(8-4-1)18-16-10-9-15(19-16)13-17-11-5-2-6-12-17;4-1(2(5)6)3(7)8/h1,3-4,7-10H,2,5-6,11-13H2;1,4H,(H,5,6)(H,7,8)
InChIKeyMCFZDVXVWPSJFX-UHFFFAOYSA-N
MW377.39 g/mol
LogP2.57
Rot. Bonds6

About 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine

2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine (PubChem CID 126460371) has the molecular formula C19H23NO7 and a molecular weight of 377.39 g/mol. Its IUPAC name is 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine
PubChem CID126460371
Molecular FormulaC19H23NO7
Molecular Weight377.39 g/mol
Exact Mass377.15
IUPAC Name2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine
SMILESO=C(O)C(O)C(=O)O.c1ccc(Oc2ccc(CN3CCCCC3)o2)cc1
InChIInChI=1S/C16H19NO2.C3H4O5/c1-3-7-14(8-4-1)18-16-10-9-15(19-16)13-17-11-5-2-6-12-17;4-1(2(5)6)3(7)8/h1,3-4,7-10H,2,5-6,11-13H2;1,4H,(H,5,6)(H,7,8)
InChIKeyMCFZDVXVWPSJFX-UHFFFAOYSA-N
XLogP2.57
TPSA120.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3S,4S)-1-[(5-phenoxyfuran-2-yl)methyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122045627
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764
oxalic acid;5-(piperidin-1-ylmethyl)furan-2-carboxylic acid
CID 45156284
1-[(5-phenoxyfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122041202
4-[1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one
CID 86785695
N-(2-bromophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 35332804
(5-phenoxyfuran-2-yl)methanamine;hydrochloride
CID 82021880
N-(2,6-dichlorophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19415907
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid
CID 117192334
N-(2-cyanophenyl)-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416050
N-(N'-methylcarbamimidoyl)-7-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]oxy-1H-indole-2-carboxamide
CID 139697399

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine?
The IUPAC name of 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine (CID 126460371) is 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine.
What is the SMILES notation for 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine?
The canonical SMILES for 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine is O=C(O)C(O)C(=O)O.c1ccc(Oc2ccc(CN3CCCCC3)o2)cc1.
What is the InChIKey of 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine?
The InChIKey is MCFZDVXVWPSJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2.C3H4O5/c1-3-7-14(8-4-1)18-16-10-9-15(19-16)13-17-11-5-2-6-12-17;4-1(2(5)6)3(7)8/h1,3-4,7-10H,2,5-6,11-13H2;1,4H,(H,5,6)(H,7,8).
What are the key properties of 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine?
2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine has a molecular weight of 377.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanedioic acid;1-[(5-phenoxyfuran-2-yl)methyl]piperidine is sourced from PubChem (CID 126460371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).