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

C9H15N3O2 — CID 106171308

IUPAC2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
SMILESCn1cccc1CNCC(O)C(N)=O
InChIInChI=1S/C9H15N3O2/c1-12-4-2-3-7(12)5-11-6-8(13)9(10)14/h2-4,8,11,13H,5-6H2,1H3,(H2,10,14)
InChIKeyNBQKCRHMKGKGBF-UHFFFAOYSA-N
MW197.24 g/mol
LogP-1.04
Rot. Bonds5

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

2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide (PubChem CID 106171308) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
PubChem CID106171308
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide
SMILESCn1cccc1CNCC(O)C(N)=O
InChIInChI=1S/C9H15N3O2/c1-12-4-2-3-7(12)5-11-6-8(13)9(10)14/h2-4,8,11,13H,5-6H2,1H3,(H2,10,14)
InChIKeyNBQKCRHMKGKGBF-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

5-[(1-methylpyrrol-2-yl)methylamino]pentanamide
CID 106234174
2-hydroxy-3-[(1-methylpyrrol-3-yl)methylamino]propanamide
CID 106171242
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 115764127
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545
N-[(1-methylpyrrol-2-yl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757469
3-[(1-methylpyrrol-2-yl)methylamino]propan-1-ol
CID 28876885
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
3-[(2,6-dichlorophenyl)methylamino]-2-hydroxypropanamide
CID 106170892
tert-butyl N-[1-[(1-methylpyrrol-2-yl)methylamino]butan-2-yl]carbamate
CID 107250372
2-[(1-methylpyrrol-2-yl)methylamino]-1-(4-propan-2-yloxyphenyl)ethanol
CID 111436616
2-methoxy-3,3-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]butan-1-amine
CID 115667004
methyl N-[(1-methylpyrrol-2-yl)methyl]carbamate
CID 103713450

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide?
The IUPAC name of 2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide (CID 106171308) is 2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide?
The canonical SMILES for 2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide is Cn1cccc1CNCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide?
The InChIKey is NBQKCRHMKGKGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-4-2-3-7(12)5-11-6-8(13)9(10)14/h2-4,8,11,13H,5-6H2,1H3,(H2,10,14).
What are the key properties of 2-hydroxy-3-[(1-methylpyrrol-2-yl)methylamino]propanamide?
2-hydroxy-3-[(1-methylpyrrol-2-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-2-yl)methylamino]propanamide is sourced from PubChem (CID 106171308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).