1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

C12H23N3O3 — CID 113308902

IUPAC1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCC(CC)(CN)C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C12H23N3O3/c1-3-12(4-2,7-13)11(18)15-6-8(16)5-9(15)10(14)17/h8-9,16H,3-7,13H2,1-2H3,(H2,14,17)
InChIKeyIJYSAMJVVCQDHL-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.80
Rot. Bonds5

About 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 113308902) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID113308902
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCCC(CC)(CN)C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C12H23N3O3/c1-3-12(4-2,7-13)11(18)15-6-8(16)5-9(15)10(14)17/h8-9,16H,3-7,13H2,1-2H3,(H2,14,17)
InChIKeyIJYSAMJVVCQDHL-UHFFFAOYSA-N
XLogP-0.80
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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-propanoylpyrrolidine-2-carboxamide
CID 64591082
1-(3-amino-2,2,3-trimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 65269624
4-hydroxy-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-2-carboxamide
CID 62846717
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
2,2,2-trifluoroethyl 2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 65173833
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114424633
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
CID 65227708
4-hydroxy-1-[2-(2,2,2-trifluoroethylamino)acetyl]pyrrolidine-2-carboxamide
CID 79260481
1-(2-amino-3-methylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 60952757
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide (CID 113308902) is 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide is CCC(CC)(CN)C(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is IJYSAMJVVCQDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-12(4-2,7-13)11(18)15-6-8(16)5-9(15)10(14)17/h8-9,16H,3-7,13H2,1-2H3,(H2,14,17).
What are the key properties of 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-2-ethylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 113308902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).