(2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid

C19H18FNO3 — CID 32502808

IUPAC(2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid
SMILESO=C(C[C@@H](C(=O)O)c1ccc(F)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H18FNO3/c20-15-7-4-13(5-8-15)17(19(23)24)11-18(22)21-16-9-6-12-2-1-3-14(12)10-16/h4-10,17H,1-3,11H2,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyQAPWJYZHBIOITB-QGZVFWFLSA-N
MW327.36 g/mol
LogP3.51
Rot. Bonds5

About (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid

(2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid (PubChem CID 32502808) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid
PubChem CID32502808
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name(2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid
SMILESO=C(C[C@@H](C(=O)O)c1ccc(F)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C19H18FNO3/c20-15-7-4-13(5-8-15)17(19(23)24)11-18(22)21-16-9-6-12-2-1-3-14(12)10-16/h4-10,17H,1-3,11H2,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyQAPWJYZHBIOITB-QGZVFWFLSA-N
XLogP3.51
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
CID 119678186
N-(2,3-dihydro-1H-inden-5-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 51153751
N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide
CID 123563159
2-sulfanyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 115166897
2-(benzhydrylamino)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 7516034
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9495307
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
CID 120586674
N-(2,3-dihydro-1H-inden-5-yl)-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 1454628
2-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethoxy]acetic acid
CID 650247
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749895

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid (CID 32502808) is (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid is O=C(C[C@@H](C(=O)O)c1ccc(F)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid?
The InChIKey is QAPWJYZHBIOITB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-15-7-4-13(5-8-15)17(19(23)24)11-18(22)21-16-9-6-12-2-1-3-14(12)10-16/h4-10,17H,1-3,11H2,(H,21,22)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid?
(2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid has a molecular weight of 327.36 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2,3-dihydro-1H-inden-5-ylamino)-2-(4-fluorophenyl)-4-oxobutanoic acid is sourced from PubChem (CID 32502808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).