2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid

C20H19NO4 — CID 120519175

IUPAC2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)N(C2CC2)C(C)C(=O)O)oc2c1ccc1ccccc12
InChIInChI=1S/C20H19NO4/c1-11-15-10-7-13-5-3-4-6-16(13)18(15)25-17(11)19(22)21(14-8-9-14)12(2)20(23)24/h3-7,10,12,14H,8-9H2,1-2H3,(H,23,24)
InChIKeyZQYPBRQXUCATBI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.97
Rot. Bonds4

About 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid

2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid (PubChem CID 120519175) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid
PubChem CID120519175
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid
SMILESCc1c(C(=O)N(C2CC2)C(C)C(=O)O)oc2c1ccc1ccccc12
InChIInChI=1S/C20H19NO4/c1-11-15-10-7-13-5-3-4-6-16(13)18(15)25-17(11)19(22)21(14-8-9-14)12(2)20(23)24/h3-7,10,12,14H,8-9H2,1-2H3,(H,23,24)
InChIKeyZQYPBRQXUCATBI-UHFFFAOYSA-N
XLogP3.97
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-6-[5-(4-methylpiperazine-1-carbonyl)furan-2-yl]naphthalene-1-carbaldehyde
CID 88947020
(4-Benzylpiperazin-1-yl)(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
CID 1034152
Naphtho[2,1-b]furan-2-yl(piperidin-1-yl)methanone
CID 2987801
N-benzyl-N-tert-butyl-1-benzofuran-2-carboxamide
CID 3146754
N-[(2-methoxyphenyl)methyl]-N-methyl-1-benzofuran-2-carboxamide
CID 4881291
(4-Methylpiperidin-1-yl)(naphtho[2,1-b]furan-2-yl)methanone
CID 6460594
{(2S)-1-[(3-methyl-5-propyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-2-yl}methanol
CID 23723343
3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 3563853
4-({[5-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-ylmethyl)-furan-2-carbonyl]-amino}-methyl)-cyclohexanecarboxylic acid
CID 9825757
Benzofuran-2-yl-(4-{2-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propyl-amino]-ethyl}-piperazin-1-yl)-methanone
CID 45269797
(6S)-4-(1-benzofuran-2-carbonyl)-1-[(3-hydroxyphenyl)methyl]-6-(2-phenylethyl)piperazin-2-one
CID 122600877
N-cyclopentyl-2-benzo[e]benzofurancarboxamide
CID 749682

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid (CID 120519175) is 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid is Cc1c(C(=O)N(C2CC2)C(C)C(=O)O)oc2c1ccc1ccccc12.
What is the InChIKey of 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid?
The InChIKey is ZQYPBRQXUCATBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-11-15-10-7-13-5-3-4-6-16(13)18(15)25-17(11)19(22)21(14-8-9-14)12(2)20(23)24/h3-7,10,12,14H,8-9H2,1-2H3,(H,23,24).
What are the key properties of 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid?
2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid has a molecular weight of 337.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120519175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).