2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide

C9H15N3O — CID 83530042

IUPAC2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC(C)(N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C9H15N3O/c1-9(2,10)8(13)12-6-7-3-4-11-5-7/h3-5,11H,6,10H2,1-2H3,(H,12,13)
InChIKeyDWAQFRJNQLTRCB-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.37
Rot. Bonds3

About 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide

2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide (PubChem CID 83530042) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
PubChem CID83530042
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
SMILESCC(C)(N)C(=O)NCc1cc[nH]c1
InChIInChI=1S/C9H15N3O/c1-9(2,10)8(13)12-6-7-3-4-11-5-7/h3-5,11H,6,10H2,1-2H3,(H,12,13)
InChIKeyDWAQFRJNQLTRCB-UHFFFAOYSA-N
XLogP0.37
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106384571
(2S)-2-amino-3,3-dimethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384847
1-(2,2-dimethylpropyl)-3-(1H-pyrrol-3-ylmethyl)urea
CID 110775133
N-(1H-pyrrol-3-ylmethyl)propanamide
CID 110782638
2-(aminomethyl)-4,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)pentanamide
CID 114181967
2-amino-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]propanamide
CID 83621902
3-amino-5,5-dimethyl-N-(1H-pyrrol-3-ylmethyl)hexanamide
CID 106384758
(2S)-2-amino-3-methyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 106384810
3-methyl-N-(1H-pyrrol-3-ylmethyl)but-2-enamide
CID 106385306
2-ethyl-N-(1H-pyrrol-3-ylmethyl)butanamide
CID 110782649
N-[(4-acetamidophenyl)methyl]-2-amino-2-methylpropanamide
CID 61267036
(E)-2,3-dimethyl-4-oxo-4-(1H-pyrrol-3-ylmethylamino)but-2-enoic acid
CID 106384463

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The IUPAC name of 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide (CID 83530042) is 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The canonical SMILES for 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide is CC(C)(N)C(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
The InChIKey is DWAQFRJNQLTRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,10)8(13)12-6-7-3-4-11-5-7/h3-5,11H,6,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide?
2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(1H-pyrrol-3-ylmethyl)propanamide is sourced from PubChem (CID 83530042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).