tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid

C30H41N5O7 — CID 23001604

About tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid

tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid (PubChem CID 23001604) has the molecular formula C30H41N5O7 and a molecular weight of 583.69 g/mol. Its IUPAC name is tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid.

Molecular Properties

• Compound Name: tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid
• PubChem CID: 23001604
• Molecular Formula: C30H41N5O7
• Molecular Weight: 583.69 g/mol
• Exact Mass: 583.30
• IUPAC Name: tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid
• SMILES: Cc1cc(COc2ccc(C3(C)CCN(C(CCNC(=O)CN(C(=O)O)C(C)(C)C)C(=O)NO)C3=O)cc2)cc(C)n1
• InChI: InChI=1S/C30H41N5O7/c1-19-15-21(16-20(2)32-19)18-42-23-9-7-22(8-10-23)30(6)12-14-34(27(30)38)24(26(37)33-41)11-13-31-25(36)17-35(28(39)40)29(3,4)5/h7-10,15-16,24,41H,11-14,17-18H2,1-6H3,(H,31,36)(H,33,37)(H,39,40)
• InChIKey: JYSQQXLTSZKOFE-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 161.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.69
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid?

The IUPAC name of tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid (CID 23001604) is tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid.

What is the SMILES notation for tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid?

The canonical SMILES for tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid is Cc1cc(COc2ccc(C3(C)CCN(C(CCNC(=O)CN(C(=O)O)C(C)(C)C)C(=O)NO)C3=O)cc2)cc(C)n1.

What is the InChIKey of tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid?

The InChIKey is JYSQQXLTSZKOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O7/c1-19-15-21(16-20(2)32-19)18-42-23-9-7-22(8-10-23)30(6)12-14-34(27(30)38)24(26(37)33-41)11-13-31-25(36)17-35(28(39)40)29(3,4)5/h7-10,15-16,24,41H,11-14,17-18H2,1-6H3,(H,31,36)(H,33,37)(H,39,40).

What are the key properties of tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid?

tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid has a molecular weight of 583.69 g/mol, XLogP of 2.93, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[[3-[3-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]phenyl]-3-methyl-2-oxopyrrolidin-1-yl]-4-(hydroxyamino)-4-oxobutyl]amino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 23001604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).