3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide

C8H13N3O — CID 116850660

IUPAC3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
SMILESCNC(=O)CC(N)c1cc[nH]c1
InChIInChI=1S/C8H13N3O/c1-10-8(12)4-7(9)6-2-3-11-5-6/h2-3,5,7,11H,4,9H2,1H3,(H,10,12)
InChIKeyXRAICQNTPYQYQL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.15
Rot. Bonds3

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

3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide (PubChem CID 116850660) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
PubChem CID116850660
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide
SMILESCNC(=O)CC(N)c1cc[nH]c1
InChIInChI=1S/C8H13N3O/c1-10-8(12)4-7(9)6-2-3-11-5-6/h2-3,5,7,11H,4,9H2,1H3,(H,10,12)
InChIKeyXRAICQNTPYQYQL-UHFFFAOYSA-N
XLogP0.15
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

methyl 2-(dimethylamino)-2-(1H-pyrrol-3-yl)acetate
CID 116857108
2-methylsulfanyl-1-(1H-pyrrol-3-yl)ethanamine
CID 116830292
3-amino-3-phenyl-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 114181945
methoxy(1H-pyrrol-3-yl)methanamine
CID 116947286
methyl 2-[amino(1H-pyrrol-3-yl)methyl]-3-methylbutanoate
CID 116946090
3-amino-N-methyl-3-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 116850693
methyl 3-methyl-2-[methylamino(1H-pyrrol-3-yl)methyl]butanoate
CID 116960470
3,3-dimethyl-1-(1H-pyrrol-3-yl)butane-1,4-diamine
CID 116934629
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
CID 116942235
(3R)-3-amino-3-(1H-pyrrol-3-yl)propanenitrile
CID 130648574
N-methyl-1-(1H-pyrrol-3-yl)ethane-1,2-diamine
CID 116855697
N'-methyl-2-(1H-pyrrol-3-yl)propanehydrazide
CID 116847036

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide?
The IUPAC name of 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide (CID 116850660) is 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide.
What is the SMILES notation for 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide?
The canonical SMILES for 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide is CNC(=O)CC(N)c1cc[nH]c1.
What is the InChIKey of 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide?
The InChIKey is XRAICQNTPYQYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-8(12)4-7(9)6-2-3-11-5-6/h2-3,5,7,11H,4,9H2,1H3,(H,10,12).
What are the key properties of 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide?
3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-(1H-pyrrol-3-yl)propanamide is sourced from PubChem (CID 116850660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).