2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide

C9H17N3O — CID 106344828

IUPAC2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide
SMILESCC(C)C(NC1=NCCC1)C(N)=O
InChIInChI=1S/C9H17N3O/c1-6(2)8(9(10)13)12-7-4-3-5-11-7/h6,8H,3-5H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeySGVWNRBYPDGLLA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.28
Rot. Bonds3

About 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide

2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide (PubChem CID 106344828) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide
PubChem CID106344828
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide
SMILESCC(C)C(NC1=NCCC1)C(N)=O
InChIInChI=1S/C9H17N3O/c1-6(2)8(9(10)13)12-7-4-3-5-11-7/h6,8H,3-5H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeySGVWNRBYPDGLLA-UHFFFAOYSA-N
XLogP0.28
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide?
The IUPAC name of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide (CID 106344828) is 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide is CC(C)C(NC1=NCCC1)C(N)=O.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide?
The InChIKey is SGVWNRBYPDGLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)8(9(10)13)12-7-4-3-5-11-7/h6,8H,3-5H2,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide?
2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide has a molecular weight of 183.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-methylbutanamide is sourced from PubChem (CID 106344828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).