(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

C16H16N2O4 — CID 87749033

IUPAC(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NO)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H16N2O4/c19-14-11-5-2-1-4-10(11)7-8-12(14)16(21)18-9-3-6-13(18)15(20)17-22/h1-2,4-5,7-8,13,19,22H,3,6,9H2,(H,17,20)/t13-/m0/s1
InChIKeyLJGCUWVPNZYWNR-ZDUSSCGKSA-N
MW300.31 g/mol
LogP1.66
Rot. Bonds2

About (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 87749033) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
PubChem CID87749033
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NO)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O
InChIInChI=1S/C16H16N2O4/c19-14-11-5-2-1-4-10(11)7-8-12(14)16(21)18-9-3-6-13(18)15(20)17-22/h1-2,4-5,7-8,13,19,22H,3,6,9H2,(H,17,20)/t13-/m0/s1
InChIKeyLJGCUWVPNZYWNR-ZDUSSCGKSA-N
XLogP1.66
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-ethynylphenyl)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 52515302
1-(1-hydroxynaphthalene-2-carbonyl)-N-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 56555754
1-(1-hydroxynaphthalene-2-carbonyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136529072
[2-(bromomethyl)pyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 80678334
1-(1-hydroxynaphthalene-2-carbonyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 56561278
(2S)-N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide
CID 97024105
1-(1-hydroxynaphthalene-2-carbonyl)-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 56581797
(1-hydroxynaphthalen-2-yl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 111696077
1-[4-[(2R)-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 95342823
(2R)-N-benzyl-1-[(2R)-1-(naphthalene-1-carbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049715
(1-hydroxynaphthalen-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 43392987
[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-(1-hydroxynaphthalen-2-yl)methanone
CID 102788284

Frequently Asked Questions

What is the IUPAC name of (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide (CID 87749033) is (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide is O=C(NO)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O.
What is the InChIKey of (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is LJGCUWVPNZYWNR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-14-11-5-2-1-4-10(11)7-8-12(14)16(21)18-9-3-6-13(18)15(20)17-22/h1-2,4-5,7-8,13,19,22H,3,6,9H2,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 300.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-1-(1-hydroxynaphthalene-2-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 87749033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).