(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid

C16H18N2O3 — CID 129401452

IUPAC(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
SMILESC[C@H](Cc1ccc(NC(=O)c2cccn2C)cc1)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-11(16(20)21)10-12-5-7-13(8-6-12)17-15(19)14-4-3-9-18(14)2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyCWVOEYYDYQJUSE-LLVKDONJSA-N
MW286.33 g/mol
LogP2.54
Rot. Bonds5

About (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid

(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid (PubChem CID 129401452) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
PubChem CID129401452
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
SMILESC[C@H](Cc1ccc(NC(=O)c2cccn2C)cc1)C(=O)O
InChIInChI=1S/C16H18N2O3/c1-11(16(20)21)10-12-5-7-13(8-6-12)17-15(19)14-4-3-9-18(14)2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,20,21)/t11-/m1/s1
InChIKeyCWVOEYYDYQJUSE-LLVKDONJSA-N
XLogP2.54
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
CID 139398325
2-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]propanoic acid
CID 154659493
N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
(2S)-2-methyl-3-[4-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 129467697
2-methyl-3-[4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]phenyl]propanoic acid
CID 120540952
2-methyl-3-[4-[(2-methylsulfanylacetyl)amino]phenyl]propanoic acid
CID 120540736
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
3-[4-[(2-cyclopentylpyrazole-3-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541513
3-[4-[[5-(methoxymethyl)furan-2-carbonyl]amino]phenyl]-2-methylpropanoic acid
CID 120541443
2-[(1-methylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469589
3-[4-(3-methoxypropanoylamino)phenyl]-2-methylpropanoic acid
CID 120541337
N-[4-(hydroxymethyl)phenyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 64794309

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid (CID 129401452) is (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid is C[C@H](Cc1ccc(NC(=O)c2cccn2C)cc1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is CWVOEYYDYQJUSE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(16(20)21)10-12-5-7-13(8-6-12)17-15(19)14-4-3-9-18(14)2/h3-9,11H,10H2,1-2H3,(H,17,19)(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid?
(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 286.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 129401452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).