(3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide

C15H25N3O5 — CID 11416168

IUPAC(3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
SMILESCC(=O)NCC(=O)N1C[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C(=O)NC(C)C
InChIInChI=1S/C15H25N3O5/c1-8(2)17-14(21)12-13-10(22-15(4,5)23-13)7-18(12)11(20)6-16-9(3)19/h8,10,12-13H,6-7H2,1-5H3,(H,16,19)(H,17,21)/t10-,12-,13-/m0/s1
InChIKeyQQZJBHUDUIBGTG-DRZSPHRISA-N
MW327.38 g/mol
LogP-0.62
Rot. Bonds4

About (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide

(3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide (PubChem CID 11416168) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide.

Molecular Properties

Compound Name(3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
PubChem CID11416168
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name(3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
SMILESCC(=O)NCC(=O)N1C[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C(=O)NC(C)C
InChIInChI=1S/C15H25N3O5/c1-8(2)17-14(21)12-13-10(22-15(4,5)23-13)7-18(12)11(20)6-16-9(3)19/h8,10,12-13H,6-7H2,1-5H3,(H,16,19)(H,17,21)/t10-,12-,13-/m0/s1
InChIKeyQQZJBHUDUIBGTG-DRZSPHRISA-N
XLogP-0.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide with MolForge

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Related Compounds

(3aR,4S,6aS)-N-tert-butyl-2,2,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
CID 60004383
2,2,3a,6-tetramethyl-5,6a-dihydro-4H-[1,3]dioxolo[4,5-c]pyrrole-6-carboxamide
CID 67189417
2,2,3a-Trimethyl-4,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
CID 67340863
N,N,5-trimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
CID 67340866
2,2,4-Trimethyl-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
CID 67340868
N-[[(3aR,4S,6aS)-5-[2-(2-methoxyethoxy)ethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]methyl]acetamide
CID 68621158
1-[(3aR,4S,6aS)-5-acetyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanone
CID 117744547
1-[(3aR,4S,6aS)-5-acetyl-2,2-diethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanone
CID 117744596
(3aR,4S,6aS)-5-acetyl-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carbaldehyde
CID 117782050
1-[(3aR,4S,6aS)-5-acetyl-2-ethyl-2-methyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-4-yl]ethanone
CID 142268413
[(3aR,6aR)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyrrol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 153338126
4,5,6,6a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide
CID 169722205

Frequently Asked Questions

What is the IUPAC name of (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The IUPAC name of (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide (CID 11416168) is (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide.
What is the SMILES notation for (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The canonical SMILES for (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide is CC(=O)NCC(=O)N1C[C@@H]2OC(C)(C)O[C@@H]2[C@H]1C(=O)NC(C)C.
What is the InChIKey of (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
The InChIKey is QQZJBHUDUIBGTG-DRZSPHRISA-N. The full InChI is InChI=1S/C15H25N3O5/c1-8(2)17-14(21)12-13-10(22-15(4,5)23-13)7-18(12)11(20)6-16-9(3)19/h8,10,12-13H,6-7H2,1-5H3,(H,16,19)(H,17,21)/t10-,12-,13-/m0/s1.
What are the key properties of (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide?
(3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4S,6aS)-5-(2-acetamidoacetyl)-2,2-dimethyl-N-propan-2-yl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxamide is sourced from PubChem (CID 11416168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).