3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid

C14H21N3O3 — CID 62715589

IUPAC3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H21N3O3/c1-16(10-6-13(18)19)14(20)12-3-2-9-17(12)11-4-7-15-8-5-11/h2-3,9,11,15H,4-8,10H2,1H3,(H,18,19)
InChIKeySHHDRXPXXWEBEE-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.96
Rot. Bonds5

About 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid

3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 62715589) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID62715589
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1cccn1C1CCNCC1
InChIInChI=1S/C14H21N3O3/c1-16(10-6-13(18)19)14(20)12-3-2-9-17(12)11-4-7-15-8-5-11/h2-3,9,11,15H,4-8,10H2,1H3,(H,18,19)
InChIKeySHHDRXPXXWEBEE-UHFFFAOYSA-N
XLogP0.96
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-methyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715240
N-methyl-1-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 62715231
N-methyl-N-pentan-3-yl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62717118
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060
2-[(1-cyclobutylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 114608607
N-methyl-N-(2-methylbutan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 63965050
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
N-cyclopentyl-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716452
N-cyclopropyl-N-(2-methoxyethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715573
N-(2-amino-2-oxoethyl)-N-ethyl-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103101886
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid (CID 62715589) is 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1cccn1C1CCNCC1.
What is the InChIKey of 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is SHHDRXPXXWEBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-16(10-6-13(18)19)14(20)12-3-2-9-17(12)11-4-7-15-8-5-11/h2-3,9,11,15H,4-8,10H2,1H3,(H,18,19).
What are the key properties of 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid?
3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62715589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).