acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide

C25H44N4O5 — CID 143675504

About acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide

acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide (PubChem CID 143675504) has the molecular formula C25H44N4O5 and a molecular weight of 480.65 g/mol. Its IUPAC name is acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide.

Molecular Properties

• Compound Name: acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide
• PubChem CID: 143675504
• Molecular Formula: C25H44N4O5
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.33
• IUPAC Name: acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide
• SMILES: C#C.C#C.C=C(C)NC(C)=O.CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(N)=O.CC(C)C
• InChI: InChI=1S/C12H21N3O4.C5H9NO.C4H10.2C2H2/c1-12(2,3)19-11(18)14-7-9(16)15-6-4-5-8(15)10(13)17;1-4(2)6-5(3)7;1-4(2)3;2*1-2/h8H,4-7H2,1-3H3,(H2,13,17)(H,14,18);1H2,2-3H3,(H,6,7);4H,1-3H3;2*1-2H/t8-;;;;/m0..../s1
• InChIKey: ANVQDSCEMDRJMH-USHJOAKVSA-N
• XLogP: 2.80
• TPSA: 130.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide?

The IUPAC name of acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide (CID 143675504) is acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide.

What is the SMILES notation for acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide?

The canonical SMILES for acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide is C#C.C#C.C=C(C)NC(C)=O.CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(N)=O.CC(C)C.

What is the InChIKey of acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide?

The InChIKey is ANVQDSCEMDRJMH-USHJOAKVSA-N. The full InChI is InChI=1S/C12H21N3O4.C5H9NO.C4H10.2C2H2/c1-12(2,3)19-11(18)14-7-9(16)15-6-4-5-8(15)10(13)17;1-4(2)6-5(3)7;1-4(2)3;2*1-2/h8H,4-7H2,1-3H3,(H2,13,17)(H,14,18);1H2,2-3H3,(H,6,7);4H,1-3H3;2*1-2H/t8-;;;;/m0..../s1.

What are the key properties of acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide?

acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide has a molecular weight of 480.65 g/mol, XLogP of 2.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide is sourced from PubChem (CID 143675504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).