1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide

C16H30N4O3 — CID 67609207

IUPAC1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
SMILESCCCNC(=O)N1CC(O)C2C1CCN2C(=O)C(N)C(C)(C)C
InChIInChI=1S/C16H30N4O3/c1-5-7-18-15(23)20-9-11(21)12-10(20)6-8-19(12)14(22)13(17)16(2,3)4/h10-13,21H,5-9,17H2,1-4H3,(H,18,23)
InChIKeyHQZQJMSYANHKOD-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.13
Rot. Bonds3

About 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide

1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide (PubChem CID 67609207) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
PubChem CID67609207
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Name1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
SMILESCCCNC(=O)N1CC(O)C2C1CCN2C(=O)C(N)C(C)(C)C
InChIInChI=1S/C16H30N4O3/c1-5-7-18-15(23)20-9-11(21)12-10(20)6-8-19(12)14(22)13(17)16(2,3)4/h10-13,21H,5-9,17H2,1-4H3,(H,18,23)
InChIKeyHQZQJMSYANHKOD-UHFFFAOYSA-N
XLogP0.13
TPSA98.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
CID 67606682
tert-butyl N-[2-[(3aR,6S,6aS)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-6-(4-fluorophenoxy)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate
CID 67892156
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 61165533
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238
tert-butyl 1-(2-amino-3,3-dimethylbutanoyl)-6-[(4-fluorophenyl)methoxy]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxylate
CID 67506208
2-amino-1-[(6S)-4-benzoyl-6-hydroxy-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]-4-methylpentan-1-one
CID 142671545
2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77077441
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 107220766
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 104921851
4-methyl-1-(propylcarbamoyl)piperidine-2-carboxylic acid
CID 114422022

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The IUPAC name of 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide (CID 67609207) is 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide.
What is the SMILES notation for 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The canonical SMILES for 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide is CCCNC(=O)N1CC(O)C2C1CCN2C(=O)C(N)C(C)(C)C.
What is the InChIKey of 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
The InChIKey is HQZQJMSYANHKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-5-7-18-15(23)20-9-11(21)12-10(20)6-8-19(12)14(22)13(17)16(2,3)4/h10-13,21H,5-9,17H2,1-4H3,(H,18,23).
What are the key properties of 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide?
1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3-dimethylbutanoyl)-6-hydroxy-N-propyl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide is sourced from PubChem (CID 67609207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).