(3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid

C17H20N2O5 — CID 97209274

IUPAC(3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccn2C)cc1OC
InChIInChI=1S/C17H20N2O5/c1-19-8-4-5-13(19)17(22)18-12(10-16(20)21)11-6-7-14(23-2)15(9-11)24-3/h4-9,12H,10H2,1-3H3,(H,18,22)(H,20,21)/t12-/m1/s1
InChIKeyLHVZUIINCSXLKQ-GFCCVEGCSA-N
MW332.36 g/mol
LogP1.99
Rot. Bonds7

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

(3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid (PubChem CID 97209274) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
PubChem CID97209274
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Name(3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
SMILESCOc1ccc([C@@H](CC(=O)O)NC(=O)c2cccn2C)cc1OC
InChIInChI=1S/C17H20N2O5/c1-19-8-4-5-13(19)17(22)18-12(10-16(20)21)11-6-7-14(23-2)15(9-11)24-3/h4-9,12H,10H2,1-3H3,(H,18,22)(H,20,21)/t12-/m1/s1
InChIKeyLHVZUIINCSXLKQ-GFCCVEGCSA-N
XLogP1.99
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

(3R)-3-(4-fluorophenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 97315397
3-(3,4-dimethoxyphenyl)-3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]propanoic acid
CID 45432925
3-(3,4-dimethoxyphenyl)-3-[(1-methylbenzotriazole-5-carbonyl)amino]propanoic acid
CID 119135696
(3R)-3-(3,4-dimethoxyphenyl)-3-[(5-methylpyrazine-2-carbonyl)amino]propanoic acid
CID 95774883
(3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 1267320
(3R)-3-(benzhydrylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 69230254
3-(benzhydrylamino)-3-(3,4-dimethoxyphenyl)propanoic acid
CID 69225556
3-(3,4-dimethoxyphenyl)-3-[[3-(methoxymethyl)thiophene-2-carbonyl]amino]propanoic acid
CID 120512449
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7010139
3-[(4-chloro-3-methylbenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 120684289
3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid
CID 119107474
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The IUPAC name of (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid (CID 97209274) is (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The canonical SMILES for (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid is COc1ccc([C@@H](CC(=O)O)NC(=O)c2cccn2C)cc1OC.
What is the InChIKey of (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
The InChIKey is LHVZUIINCSXLKQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-19-8-4-5-13(19)17(22)18-12(10-16(20)21)11-6-7-14(23-2)15(9-11)24-3/h4-9,12H,10H2,1-3H3,(H,18,22)(H,20,21)/t12-/m1/s1.
What are the key properties of (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid?
(3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid has a molecular weight of 332.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 97209274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).