4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide

C14H24N4O2 — CID 43695422

IUPAC4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)C1CC(O)CN1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)12(8-18-5-4-15-9-18)17-13(20)11-6-10(19)7-16-11/h4-5,9-12,16,19H,6-8H2,1-3H3,(H,17,20)
InChIKeyKDBOFZUGBHQTDB-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.14
Rot. Bonds4

About 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide

4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide (PubChem CID 43695422) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide
PubChem CID43695422
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(Cn1ccnc1)NC(=O)C1CC(O)CN1
InChIInChI=1S/C14H24N4O2/c1-14(2,3)12(8-18-5-4-15-9-18)17-13(20)11-6-10(19)7-16-11/h4-5,9-12,16,19H,6-8H2,1-3H3,(H,17,20)
InChIKeyKDBOFZUGBHQTDB-UHFFFAOYSA-N
XLogP0.14
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 43695419
(1R,5S)-7-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 166316616
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)oxolane-3-carboxamide
CID 66240017
tert-butyl N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)carbamate
CID 65142849
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-methoxy-2-methylpropanamide
CID 103028936
2-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 43695409
2-ethoxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)acetamide
CID 63001421
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-4-(methylamino)butanamide
CID 60843290
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 74245321
4-amino-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-3-methylbutanamide
CID 81075326
2-[(5S,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 97445983
2-[(5R,7R)-3-hydroxy-1-adamantyl]-N-[(2S)-1-imidazol-1-yl-3,3-dimethylbutan-2-yl]acetamide
CID 98880632

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide (CID 43695422) is 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide is CC(C)(C)C(Cn1ccnc1)NC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is KDBOFZUGBHQTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-14(2,3)12(8-18-5-4-15-9-18)17-13(20)11-6-10(19)7-16-11/h4-5,9-12,16,19H,6-8H2,1-3H3,(H,17,20).
What are the key properties of 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43695422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).