1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

C12H23N3O3 — CID 65269624

IUPAC1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(N)C(C)(C)C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C12H23N3O3/c1-11(2,12(3,4)14)10(18)15-6-7(16)5-8(15)9(13)17/h7-8,16H,5-6,14H2,1-4H3,(H2,13,17)
InChIKeyRKOSZSCWTTZAGO-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.80
Rot. Bonds3

About 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide

1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 65269624) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID65269624
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(N)C(C)(C)C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C12H23N3O3/c1-11(2,12(3,4)14)10(18)15-6-7(16)5-8(15)9(13)17/h7-8,16H,5-6,14H2,1-4H3,(H2,13,17)
InChIKeyRKOSZSCWTTZAGO-UHFFFAOYSA-N
XLogP-0.80
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 62846717
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60952757
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 113308902
4-hydroxy-1-propanoylpyrrolidine-2-carboxamide
CID 64591082
1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65227708
1-[(2R)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 175936026
(2S,4R)-1-[(2S)-2-[(1-fluorocyclopropanecarbonyl)amino]-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 146522625
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide (CID 65269624) is 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide is CC(C)(N)C(C)(C)C(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is RKOSZSCWTTZAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-11(2,12(3,4)14)10(18)15-6-7(16)5-8(15)9(13)17/h7-8,16H,5-6,14H2,1-4H3,(H2,13,17).
What are the key properties of 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide?
1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 65269624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).