methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate

C20H20N2O3 — CID 125124293

IUPACmethyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C[C@@H](c1cccc2ccccc12)n1cccc1
InChIInChI=1S/C20H20N2O3/c1-25-20(24)14-21-19(23)13-18(22-11-4-5-12-22)17-10-6-8-15-7-2-3-9-16(15)17/h2-12,18H,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyZOYVHNASIVUQBM-SFHVURJKSA-N
MW336.39 g/mol
LogP2.91
Rot. Bonds6

About methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate

methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate (PubChem CID 125124293) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
PubChem CID125124293
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Namemethyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C[C@@H](c1cccc2ccccc12)n1cccc1
InChIInChI=1S/C20H20N2O3/c1-25-20(24)14-21-19(23)13-18(22-11-4-5-12-22)17-10-6-8-15-7-2-3-9-16(15)17/h2-12,18H,13-14H2,1H3,(H,21,23)/t18-/m0/s1
InChIKeyZOYVHNASIVUQBM-SFHVURJKSA-N
XLogP2.91
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(2,3-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 92709260
(3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125124269
(3S)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(1,3-thiazol-2-yl)propanamide
CID 125123997
(3R)-3-naphthalen-1-yl-3-pyrrol-1-yl-N-(2-thiomorpholin-4-ylsulfonylethyl)propanamide
CID 125124170
3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-3-pyrrol-1-ylpropanamide
CID 46342926
methyl 3-hydroperoxy-3-naphthalen-1-ylpropanoate
CID 89115369
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
(3R)-N-(3H-benzimidazol-5-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123430
methyl (4S)-4-amino-4-naphthalen-1-ylbutanoate
CID 7145124
(3R)-N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanamide
CID 125123868
(3R)-N-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709852
methyl 2-[(1-naphthalen-1-yl-2-phenylethyl)amino]acetate
CID 140505249

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate?
The IUPAC name of methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate (CID 125124293) is methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate is COC(=O)CNC(=O)C[C@@H](c1cccc2ccccc12)n1cccc1.
What is the InChIKey of methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate?
The InChIKey is ZOYVHNASIVUQBM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-20(24)14-21-19(23)13-18(22-11-4-5-12-22)17-10-6-8-15-7-2-3-9-16(15)17/h2-12,18H,13-14H2,1H3,(H,21,23)/t18-/m0/s1.
What are the key properties of methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate?
methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate has a molecular weight of 336.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3S)-3-naphthalen-1-yl-3-pyrrol-1-ylpropanoyl]amino]acetate is sourced from PubChem (CID 125124293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).