4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid

C21H23NO3 — CID 119201393

IUPAC4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-20(14-15-9-10-16-7-4-8-18(16)13-15)22-19(11-12-21(24)25)17-5-2-1-3-6-17/h1-3,5-6,9-10,13,19H,4,7-8,11-12,14H2,(H,22,23)(H,24,25)
InChIKeyNUDJAJLEZARTAS-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.44
Rot. Bonds7

About 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid

4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid (PubChem CID 119201393) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid
PubChem CID119201393
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Name4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid
SMILESO=C(O)CCC(NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1
InChIInChI=1S/C21H23NO3/c23-20(14-15-9-10-16-7-4-8-18(16)13-15)22-19(11-12-21(24)25)17-5-2-1-3-6-17/h1-3,5-6,9-10,13,19H,4,7-8,11-12,14H2,(H,22,23)(H,24,25)
InChIKeyNUDJAJLEZARTAS-UHFFFAOYSA-N
XLogP3.44
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-2-phenylacetic acid
CID 119372755
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
4-[(2-aminoacetyl)amino]-4-phenylbutanoic acid
CID 61161871
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
4-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-4-phenylbutanoic acid
CID 119201158
4-[3-(4-fluorophenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201110
4-[3-(4-methoxyphenyl)propanoylamino]-4-phenylbutanoic acid
CID 119201187
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
N-(4-hydroxybutan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 81049521
4-(3-ethoxypropanoylamino)-4-phenylbutanoic acid
CID 62589345
2-(2,3-dihydro-1H-inden-5-yl)-N-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-phenylmethyl]acetamide
CID 95146097

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid?
The IUPAC name of 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid (CID 119201393) is 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid.
What is the SMILES notation for 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid?
The canonical SMILES for 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid is O=C(O)CCC(NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1.
What is the InChIKey of 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid?
The InChIKey is NUDJAJLEZARTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(14-15-9-10-16-7-4-8-18(16)13-15)22-19(11-12-21(24)25)17-5-2-1-3-6-17/h1-3,5-6,9-10,13,19H,4,7-8,11-12,14H2,(H,22,23)(H,24,25).
What are the key properties of 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid?
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid has a molecular weight of 337.42 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]-4-phenylbutanoic acid is sourced from PubChem (CID 119201393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).