1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

C11H21N3O3 — CID 65227708

IUPAC1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(CN)C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C11H21N3O3/c1-6(2)8(4-12)11(17)14-5-7(15)3-9(14)10(13)16/h6-9,15H,3-5,12H2,1-2H3,(H2,13,16)
InChIKeyRQLYQCUNJWUJIU-UHFFFAOYSA-N
MW243.31 g/mol
LogP-1.34
Rot. Bonds4

About 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide

1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 65227708) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
PubChem CID65227708
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)C(CN)C(=O)N1CC(O)CC1C(N)=O
InChIInChI=1S/C11H21N3O3/c1-6(2)8(4-12)11(17)14-5-7(15)3-9(14)10(13)16/h6-9,15H,3-5,12H2,1-2H3,(H2,13,16)
InChIKeyRQLYQCUNJWUJIU-UHFFFAOYSA-N
XLogP-1.34
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide (CID 65227708) is 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide is CC(C)C(CN)C(=O)N1CC(O)CC1C(N)=O.
What is the InChIKey of 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is RQLYQCUNJWUJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-6(2)8(4-12)11(17)14-5-7(15)3-9(14)10(13)16/h6-9,15H,3-5,12H2,1-2H3,(H2,13,16).
What are the key properties of 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide?
1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of -1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-methylbutanoyl]-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 65227708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).