dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide

C25H32N2O7 — CID 90003955

IUPACdibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCNC1.O=C(OCc1ccccc1)C(O)C(O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H18O6.C7H14N2O/c19-15(17(21)23-11-13-7-3-1-4-8-13)16(20)18(22)24-12-14-9-5-2-6-10-14;1-6(10)9-7-3-2-4-8-5-7/h1-10,15-16,19-20H,11-12H2;7-8H,2-5H2,1H3,(H,9,10)/t;7-/m.1/s1
InChIKeyGPVUVJGNVPKIHA-HMZWWLAASA-N
MW472.54 g/mol
LogP1.07
Rot. Bonds8

About dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide

dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide (PubChem CID 90003955) has the molecular formula C25H32N2O7 and a molecular weight of 472.54 g/mol. Its IUPAC name is dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide.

Molecular Properties

Compound Namedibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide
PubChem CID90003955
Molecular FormulaC25H32N2O7
Molecular Weight472.54 g/mol
Exact Mass472.22
IUPAC Namedibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CCCNC1.O=C(OCc1ccccc1)C(O)C(O)C(=O)OCc1ccccc1
InChIInChI=1S/C18H18O6.C7H14N2O/c19-15(17(21)23-11-13-7-3-1-4-8-13)16(20)18(22)24-12-14-9-5-2-6-10-14;1-6(10)9-7-3-2-4-8-5-7/h1-10,15-16,19-20H,11-12H2;7-8H,2-5H2,1H3,(H,9,10)/t;7-/m.1/s1
InChIKeyGPVUVJGNVPKIHA-HMZWWLAASA-N
XLogP1.07
TPSA134.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl 2-(pyrrolidin-3-ylamino)propanoate
CID 19853358
benzyl (2S)-2-acetamido-3-[[(3R)-piperidine-3-carbonyl]amino]propanoate;hydrochloride
CID 86588489
benzyl N-[(3R)-piperidin-3-yl]carbamate;tert-butyl (3R)-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate
CID 159336340
benzyl (3S)-2-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 54550045
benzyl (2S)-2-acetamido-2-cyclopentylacetate
CID 155326038
benzyl 2-amino-2-pyrrolidin-3-ylacetate
CID 71302808
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
N-piperidin-3-ylbenzamide
CID 22017045
benzyl N-[(3S,4R)-4-methylpiperidin-3-yl]carbamate
CID 97357162
benzyl formate;piperidin-3-ylhydrazine
CID 174774253
benzyl N-[(3R)-piperidin-3-yl]-N-propan-2-ylcarbamate
CID 66569385

Frequently Asked Questions

What is the IUPAC name of dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide?
The IUPAC name of dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide (CID 90003955) is dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide.
What is the SMILES notation for dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide?
The canonical SMILES for dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CCCNC1.O=C(OCc1ccccc1)C(O)C(O)C(=O)OCc1ccccc1.
What is the InChIKey of dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide?
The InChIKey is GPVUVJGNVPKIHA-HMZWWLAASA-N. The full InChI is InChI=1S/C18H18O6.C7H14N2O/c19-15(17(21)23-11-13-7-3-1-4-8-13)16(20)18(22)24-12-14-9-5-2-6-10-14;1-6(10)9-7-3-2-4-8-5-7/h1-10,15-16,19-20H,11-12H2;7-8H,2-5H2,1H3,(H,9,10)/t;7-/m.1/s1.
What are the key properties of dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide?
dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide has a molecular weight of 472.54 g/mol, XLogP of 1.07, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 2,3-dihydroxybutanedioate;N-[(3R)-piperidin-3-yl]acetamide is sourced from PubChem (CID 90003955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).