prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate

C28H37N5O6 — CID 21347932

About prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate

prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate (PubChem CID 21347932) has the molecular formula C28H37N5O6 and a molecular weight of 539.63 g/mol. Its IUPAC name is prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate.

Molecular Properties

• Compound Name: prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate
• PubChem CID: 21347932
• Molecular Formula: C28H37N5O6
• Molecular Weight: 539.63 g/mol
• Exact Mass: 539.27
• IUPAC Name: prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate
• SMILES: C=CCOC(=O)NCCCC[C@H](C(=O)NO)N1CCC(N)(c2ccc(OCc3cc(C)nc(C)c3)cc2)C1=O
• InChI: InChI=1S/C28H37N5O6/c1-4-15-38-27(36)30-13-6-5-7-24(25(34)32-37)33-14-12-28(29,26(33)35)22-8-10-23(11-9-22)39-18-21-16-19(2)31-20(3)17-21/h4,8-11,16-17,24,37H,1,5-7,12-15,18,29H2,2-3H3,(H,30,36)(H,32,34)/t24-,28?/m1/s1
• InChIKey: DCCNBSSUXUMOOK-RIBGEGAISA-N
• XLogP: 2.62
• TPSA: 156.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.63
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate?

The IUPAC name of prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate (CID 21347932) is prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate.

What is the SMILES notation for prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate?

The canonical SMILES for prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate is C=CCOC(=O)NCCCC[C@H](C(=O)NO)N1CCC(N)(c2ccc(OCc3cc(C)nc(C)c3)cc2)C1=O.

What is the InChIKey of prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate?

The InChIKey is DCCNBSSUXUMOOK-RIBGEGAISA-N. The full InChI is InChI=1S/C28H37N5O6/c1-4-15-38-27(36)30-13-6-5-7-24(25(34)32-37)33-14-12-28(29,26(33)35)22-8-10-23(11-9-22)39-18-21-16-19(2)31-20(3)17-21/h4,8-11,16-17,24,37H,1,5-7,12-15,18,29H2,2-3H3,(H,30,36)(H,32,34)/t24-,28?/m1/s1.

What are the key properties of prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate?

prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate has a molecular weight of 539.63 g/mol, XLogP of 2.62, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for prop-2-enyl N-[(5R)-5-[3-amino-3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-6-(hydroxyamino)-6-oxohexyl]carbamate is sourced from PubChem (CID 21347932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).