(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide

C17H29N3O6 — CID 23520223

IUPAC(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCOCC1)[C@H](O)C(=O)NO
InChIInChI=1S/C17H29N3O6/c1-2-3-5-12(14(21)15(22)18-25)16(23)20-7-4-6-13(20)17(24)19-8-10-26-11-9-19/h12-14,21,25H,2-11H2,1H3,(H,18,22)/t12-,13+,14+/m1/s1
InChIKeyVODKENRDHBOOMV-RDBSUJKOSA-N
MW371.43 g/mol
LogP-0.49
Rot. Bonds7

About (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide

(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide (PubChem CID 23520223) has the molecular formula C17H29N3O6 and a molecular weight of 371.43 g/mol. Its IUPAC name is (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide.

Molecular Properties

Compound Name(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide
PubChem CID23520223
Molecular FormulaC17H29N3O6
Molecular Weight371.43 g/mol
Exact Mass371.21
IUPAC Name(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide
SMILESCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCOCC1)[C@H](O)C(=O)NO
InChIInChI=1S/C17H29N3O6/c1-2-3-5-12(14(21)15(22)18-25)16(23)20-7-4-6-13(20)17(24)19-8-10-26-11-9-19/h12-14,21,25H,2-11H2,1H3,(H,18,22)/t12-,13+,14+/m1/s1
InChIKeyVODKENRDHBOOMV-RDBSUJKOSA-N
XLogP-0.49
TPSA119.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 23520183
(2S)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-(1H-imidazol-2-yl)pyrrolidine-2-carboxamide
CID 23520217
(2S)-1-[(2S)-2-[(1R)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-methylpyrrolidine-2-carboxamide
CID 23520292
N,2-dihydroxy-3-[2-(5-methyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 23591393
(2S)-N-(2,3-dihydro-1H-inden-5-yl)-1-[(2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]hexanoyl]pyrrolidine-2-carboxamide
CID 23520219
3-[2-(4,5-dimethyl-1,3-oxazol-2-yl)pyrrolidine-1-carbonyl]-N,2-dihydroxyheptanamide
CID 23591404
(3R)-N-hydroxy-3-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carbonyl]octanamide
CID 142133700
3-amino-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 62670176
(2S)-1-[(2S)-2-[(1S)-1-fluoro-2-(hydroxyamino)-2-oxoethyl]hexanoyl]-N-pentylpyrrolidine-2-carboxamide
CID 23520297
(2R)-2-amino-4-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]pentan-1-one
CID 104903033
2-amino-4-methoxy-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 62474297
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]heptanamide
CID 58582722

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide?
The IUPAC name of (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide (CID 23520223) is (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide.
What is the SMILES notation for (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide?
The canonical SMILES for (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide is CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCOCC1)[C@H](O)C(=O)NO.
What is the InChIKey of (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide?
The InChIKey is VODKENRDHBOOMV-RDBSUJKOSA-N. The full InChI is InChI=1S/C17H29N3O6/c1-2-3-5-12(14(21)15(22)18-25)16(23)20-7-4-6-13(20)17(24)19-8-10-26-11-9-19/h12-14,21,25H,2-11H2,1H3,(H,18,22)/t12-,13+,14+/m1/s1.
What are the key properties of (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide?
(2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide has a molecular weight of 371.43 g/mol, XLogP of -0.49, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,2-dihydroxy-3-[(2S)-2-(morpholine-4-carbonyl)pyrrolidine-1-carbonyl]heptanamide is sourced from PubChem (CID 23520223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).