1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide

C10H20N4O — CID 123461039

IUPAC1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCN1C(=O)C(N)C(C)C
InChIInChI=1S/C10H20N4O/c1-6(2)8(11)10(15)14-5-3-4-7(14)9(12)13/h6-8H,3-5,11H2,1-2H3,(H3,12,13)
InChIKeyMQTOPQCTPSYHSL-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.10
Rot. Bonds3

About 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide

1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide (PubChem CID 123461039) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide
PubChem CID123461039
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide
SMILES[H]/N=C(\N)C1CCCN1C(=O)C(N)C(C)C
InChIInChI=1S/C10H20N4O/c1-6(2)8(11)10(15)14-5-3-4-7(14)9(12)13/h6-8H,3-5,11H2,1-2H3,(H3,12,13)
InChIKeyMQTOPQCTPSYHSL-UHFFFAOYSA-N
XLogP-0.10
TPSA96.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide?
The IUPAC name of 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide (CID 123461039) is 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide is [H]/N=C(\N)C1CCCN1C(=O)C(N)C(C)C.
What is the InChIKey of 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide?
The InChIKey is MQTOPQCTPSYHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-6(2)8(11)10(15)14-5-3-4-7(14)9(12)13/h6-8H,3-5,11H2,1-2H3,(H3,12,13).
What are the key properties of 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide?
1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide has a molecular weight of 212.30 g/mol, XLogP of -0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylbutanoyl)pyrrolidine-2-carboximidamide is sourced from PubChem (CID 123461039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).