(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide

C15H16N2O3 — CID 79411310

IUPAC(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C15H16N2O3/c18-13-8-17(9-14(13)19)15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,18-19H,8-9H2,(H,16,20)/t13-,14+
InChIKeyHCJIWAOUSLOGCB-OKILXGFUSA-N
MW272.30 g/mol
LogP1.41
Rot. Bonds1

About (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide

(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide (PubChem CID 79411310) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
PubChem CID79411310
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C15H16N2O3/c18-13-8-17(9-14(13)19)15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,18-19H,8-9H2,(H,16,20)/t13-,14+
InChIKeyHCJIWAOUSLOGCB-OKILXGFUSA-N
XLogP1.41
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
3-(dimethylamino)-N-naphthalen-1-ylazetidine-1-carboxamide
CID 23140557
(3S,4S)-1-(naphthalen-1-ylcarbamoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122073552
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
3-(methylamino)-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 62536380
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
3-(2-aminoethyl)-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 114802238
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]benzoic acid
CID 106670631
4-[3-hydroxypropyl(methyl)amino]-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 111383892

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide (CID 79411310) is (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
The InChIKey is HCJIWAOUSLOGCB-OKILXGFUSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-13-8-17(9-14(13)19)15(20)16-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,13-14,18-19H,8-9H2,(H,16,20)/t13-,14+.
What are the key properties of (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide?
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 79411310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).