2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

C10H17N3O2 — CID 115180157

IUPAC2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESCN(CCc1cc[nH]c1)C(=O)C(N)CO
InChIInChI=1S/C10H17N3O2/c1-13(10(15)9(11)7-14)5-3-8-2-4-12-6-8/h2,4,6,9,12,14H,3,5,7,11H2,1H3
InChIKeyDNXQXEMUUYFUFY-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.66
Rot. Bonds5

About 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide

2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (PubChem CID 115180157) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
PubChem CID115180157
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
SMILESCN(CCc1cc[nH]c1)C(=O)C(N)CO
InChIInChI=1S/C10H17N3O2/c1-13(10(15)9(11)7-14)5-3-8-2-4-12-6-8/h2,4,6,9,12,14H,3,5,7,11H2,1H3
InChIKeyDNXQXEMUUYFUFY-UHFFFAOYSA-N
XLogP-0.66
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]carbamoyl]butanoic acid
CID 115186091
2-amino-3-hydroxy-N-methyl-N-[2-(4-methylphenyl)ethyl]propanamide
CID 115180130
4-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115163151
4-amino-N,2,2-trimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]butanamide
CID 115157136
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-cyano-N,2-dimethyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide
CID 115175244
3-methyl-2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-1-ol
CID 115137792
(2R)-2-amino-N-methyl-N-(2-phenylethyl)propanamide
CID 78973247
N-(2-chloroethyl)-N-methyl-2-(1H-pyrrol-3-yl)ethanamine
CID 115215195
N-methyl-4-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridine-3-carboxamide
CID 103337389
2-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetaldehyde
CID 115223392
4-amino-1-[methyl-[2-(1H-pyrrol-3-yl)ethyl]amino]butan-2-ol
CID 117039305

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide (CID 115180157) is 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is CN(CCc1cc[nH]c1)C(=O)C(N)CO.
What is the InChIKey of 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
The InChIKey is DNXQXEMUUYFUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13(10(15)9(11)7-14)5-3-8-2-4-12-6-8/h2,4,6,9,12,14H,3,5,7,11H2,1H3.
What are the key properties of 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide?
2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide has a molecular weight of 211.26 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-N-methyl-N-[2-(1H-pyrrol-3-yl)ethyl]propanamide is sourced from PubChem (CID 115180157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).