(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide

C9H15N3O — CID 103992330

IUPAC(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
SMILESC[C@H](NCc1ccn(C)c1)C(N)=O
InChIInChI=1S/C9H15N3O/c1-7(9(10)13)11-5-8-3-4-12(2)6-8/h3-4,6-7,11H,5H2,1-2H3,(H2,10,13)/t7-/m0/s1
InChIKeyVBZWFPHEKXHSRN-ZETCQYMHSA-N
MW181.24 g/mol
LogP-0.01
Rot. Bonds4

About (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide

(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide (PubChem CID 103992330) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
PubChem CID103992330
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
SMILESC[C@H](NCc1ccn(C)c1)C(N)=O
InChIInChI=1S/C9H15N3O/c1-7(9(10)13)11-5-8-3-4-12(2)6-8/h3-4,6-7,11H,5H2,1-2H3,(H2,10,13)/t7-/m0/s1
InChIKeyVBZWFPHEKXHSRN-ZETCQYMHSA-N
XLogP-0.01
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-methyl-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103872075
2-[(1-methylpyrrol-3-yl)methylamino]-N-propylpropanamide
CID 66397673
methyl (2S)-3-methyl-2-[(1-methylpyrrol-3-yl)methylamino]butanoate
CID 66399382
2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 106171242
[4-[1-[(1-methylpyrrol-3-yl)methylamino]ethyl]phenyl]urea
CID 66398981
N,3-dimethyl-2-[(1-methylpyrrol-3-yl)methylamino]butanamide
CID 115868089
N-[(1-methylpyrrol-3-yl)methyl]pentan-3-amine
CID 66399758
2-[(4-bromophenyl)methylamino]propanamide
CID 43402314
1-ethylsulfonyl-N-[(1-methylpyrrol-3-yl)methyl]propan-2-amine
CID 115867956
2-[(1-methylpyrrol-3-yl)methylamino]-2-phenylacetic acid
CID 66398999
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
4-methyl-2-[(1-methylpyrrol-3-yl)methylamino]pentan-1-ol
CID 66400659

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The IUPAC name of (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide (CID 103992330) is (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide.
What is the SMILES notation for (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The canonical SMILES for (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide is C[C@H](NCc1ccn(C)c1)C(N)=O.
What is the InChIKey of (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The InChIKey is VBZWFPHEKXHSRN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(9(10)13)11-5-8-3-4-12(2)6-8/h3-4,6-7,11H,5H2,1-2H3,(H2,10,13)/t7-/m0/s1.
What are the key properties of (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide?
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide has a molecular weight of 181.24 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide is sourced from PubChem (CID 103992330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).