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

C9H15N3O2 — CID 106171242

IUPAC2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
SMILESCn1ccc(CNCC(O)C(N)=O)c1
InChIInChI=1S/C9H15N3O2/c1-12-3-2-7(6-12)4-11-5-8(13)9(10)14/h2-3,6,8,11,13H,4-5H2,1H3,(H2,10,14)
InChIKeyKSMRCESKBSAVFO-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.04
Rot. Bonds5

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

2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide (PubChem CID 106171242) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
PubChem CID106171242
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
SMILESCn1ccc(CNCC(O)C(N)=O)c1
InChIInChI=1S/C9H15N3O2/c1-12-3-2-7(6-12)4-11-5-8(13)9(10)14/h2-3,6,8,11,13H,4-5H2,1H3,(H2,10,14)
InChIKeyKSMRCESKBSAVFO-UHFFFAOYSA-N
XLogP-1.04
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
2-methyl-3-[(1-methylpyrrol-3-yl)methylamino]propan-1-ol
CID 66399627
(2S)-2-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 103992330
3-methyl-4-[(1-methylpyrrol-3-yl)methylamino]butan-1-ol
CID 66398795
2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
CID 106171308
2-hydroxy-3-[(4-methoxyphenyl)methylamino]propanamide
CID 106170843
2-hydroxy-3-[[4-(methoxymethyl)phenyl]methylamino]propanamide
CID 106170747
2-hydroxy-3-[(4-methylsulfanylphenyl)methylamino]propanamide
CID 106170579
2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
CID 106170985
2-hydroxy-3-[(3-hydroxyphenyl)methylamino]propanamide
CID 106170564
2-methyl-3-[3-[(2-methylpropylamino)methyl]pyrrol-1-yl]propanamide
CID 66404402
4-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66397859

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide (CID 106171242) is 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide is Cn1ccc(CNCC(O)C(N)=O)c1.
What is the InChIKey of 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide?
The InChIKey is KSMRCESKBSAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-3-2-7(6-12)4-11-5-8(13)9(10)14/h2-3,6,8,11,13H,4-5H2,1H3,(H2,10,14).
What are the key properties of 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide?
2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide has a molecular weight of 197.24 g/mol, XLogP of -1.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide is sourced from PubChem (CID 106171242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).