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

C14H21N3O3 — CID 62715245

IUPAC2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)c1cccn1C1CCNCC1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-14(2,13(19)20)16-12(18)11-4-3-9-17(11)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNLAQRZNBDZWFJK-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.01
Rot. Bonds4

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

2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 62715245) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID62715245
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCC(C)(NC(=O)c1cccn1C1CCNCC1)C(=O)O
InChIInChI=1S/C14H21N3O3/c1-14(2,13(19)20)16-12(18)11-4-3-9-17(11)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyNLAQRZNBDZWFJK-UHFFFAOYSA-N
XLogP1.01
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715225
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568
N-[3-(hydroxymethyl)pentan-3-yl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715939
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-(3-methylcyclopentyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 114546140
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
N-(2-ethylcyclopropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811287

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid (CID 62715245) is 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid is CC(C)(NC(=O)c1cccn1C1CCNCC1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is NLAQRZNBDZWFJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,13(19)20)16-12(18)11-4-3-9-17(11)10-5-7-15-8-6-10/h3-4,9-10,15H,5-8H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid?
2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-piperidin-4-ylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62715245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).