(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide

C20H23N3O4 — CID 11824787

IUPAC(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccncc3)cc2)C1=O
InChIInChI=1S/C20H23N3O4/c1-14(18(24)22-26)23-12-9-20(2,19(23)25)16-3-5-17(6-4-16)27-13-15-7-10-21-11-8-15/h3-8,10-11,14,26H,9,12-13H2,1-2H3,(H,22,24)/t14-,20+/m1/s1
InChIKeyXKXZGTYAPMUIFV-VLIAUNLRSA-N
MW369.42 g/mol
LogP2.04
Rot. Bonds6

About (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide

(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide (PubChem CID 11824787) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide
PubChem CID11824787
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccncc3)cc2)C1=O
InChIInChI=1S/C20H23N3O4/c1-14(18(24)22-26)23-12-9-20(2,19(23)25)16-3-5-17(6-4-16)27-13-15-7-10-21-11-8-15/h3-8,10-11,14,26H,9,12-13H2,1-2H3,(H,22,24)/t14-,20+/m1/s1
InChIKeyXKXZGTYAPMUIFV-VLIAUNLRSA-N
XLogP2.04
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide (CID 11824787) is (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide is C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(OCc3ccncc3)cc2)C1=O.
What is the InChIKey of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide?
The InChIKey is XKXZGTYAPMUIFV-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14(18(24)22-26)23-12-9-20(2,19(23)25)16-3-5-17(6-4-16)27-13-15-7-10-21-11-8-15/h3-8,10-11,14,26H,9,12-13H2,1-2H3,(H,22,24)/t14-,20+/m1/s1.
What are the key properties of (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide?
(2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide has a molecular weight of 369.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-hydroxy-2-[(3S)-3-methyl-2-oxo-3-[4-(pyridin-4-ylmethoxy)phenyl]pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 11824787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).