4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide

C9H15N3O — CID 115156226

IUPAC4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
SMILESCC(CN)CC(=O)Nc1cc[nH]c1
InChIInChI=1S/C9H15N3O/c1-7(5-10)4-9(13)12-8-2-3-11-6-8/h2-3,6-7,11H,4-5,10H2,1H3,(H,12,13)
InChIKeyRODKKXJURCXAGP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds4

About 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide

4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide (PubChem CID 115156226) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
PubChem CID115156226
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide
SMILESCC(CN)CC(=O)Nc1cc[nH]c1
InChIInChI=1S/C9H15N3O/c1-7(5-10)4-9(13)12-8-2-3-11-6-8/h2-3,6-7,11H,4-5,10H2,1H3,(H,12,13)
InChIKeyRODKKXJURCXAGP-UHFFFAOYSA-N
XLogP0.94
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-3-methyl-N-[4-(3-methylbutanoylamino)phenyl]butanamide
CID 81084171
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
4-amino-N-(3,5-dichlorophenyl)-3-methylbutanamide
CID 81070502
3-oxo-3-(1H-pyrrol-3-ylamino)propanoic acid
CID 115163232
4-amino-N-(4-cyanophenyl)-3-methylbutanamide
CID 81070999
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115156250
4-amino-4-methyl-N-(1H-pyrrol-3-yl)pentanamide
CID 115157506
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847
3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)butanamide
CID 81079755

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide?
The IUPAC name of 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide (CID 115156226) is 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide?
The canonical SMILES for 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide is CC(CN)CC(=O)Nc1cc[nH]c1.
What is the InChIKey of 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide?
The InChIKey is RODKKXJURCXAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(5-10)4-9(13)12-8-2-3-11-6-8/h2-3,6-7,11H,4-5,10H2,1H3,(H,12,13).
What are the key properties of 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide?
4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-(1H-pyrrol-3-yl)butanamide is sourced from PubChem (CID 115156226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).