(2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

C29H36N4O5 — CID 86291010

IUPAC(2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCOCCc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C29H36N4O5/c1-19(2)16-26(27(34)32-36)33-14-13-29(30,28(33)35)21-8-10-23(11-9-21)38-18-20-17-22(12-15-37-3)31-25-7-5-4-6-24(20)25/h4-11,17,19,26,36H,12-16,18,30H2,1-3H3,(H,32,34)/t26-,29-/m1/s1
InChIKeyOKHKINWJYOOKOF-GGXMVOPNSA-N
MW520.63 g/mol
LogP3.31
Rot. Bonds11

About (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide

(2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (PubChem CID 86291010) has the molecular formula C29H36N4O5 and a molecular weight of 520.63 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
PubChem CID86291010
Molecular FormulaC29H36N4O5
Molecular Weight520.63 g/mol
Exact Mass520.27
IUPAC Name(2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide
SMILESCOCCc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1
InChIInChI=1S/C29H36N4O5/c1-19(2)16-26(27(34)32-36)33-14-13-29(30,28(33)35)21-8-10-23(11-9-21)38-18-20-17-22(12-15-37-3)31-25-7-5-4-6-24(20)25/h4-11,17,19,26,36H,12-16,18,30H2,1-3H3,(H,32,34)/t26-,29-/m1/s1
InChIKeyOKHKINWJYOOKOF-GGXMVOPNSA-N
XLogP3.31
TPSA127.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide (CID 86291010) is (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is COCCc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1.
What is the InChIKey of (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
The InChIKey is OKHKINWJYOOKOF-GGXMVOPNSA-N. The full InChI is InChI=1S/C29H36N4O5/c1-19(2)16-26(27(34)32-36)33-14-13-29(30,28(33)35)21-8-10-23(11-9-21)38-18-20-17-22(12-15-37-3)31-25-7-5-4-6-24(20)25/h4-11,17,19,26,36H,12-16,18,30H2,1-3H3,(H,32,34)/t26-,29-/m1/s1.
What are the key properties of (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide?
(2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide has a molecular weight of 520.63 g/mol, XLogP of 3.31, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3R)-3-amino-3-[4-[[2-(2-methoxyethyl)quinolin-4-yl]methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 86291010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).