(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid

C20H17NO3 — CID 851942

IUPAC(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
SMILESO=C(C[C@@H](C(=O)O)c1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C20H17NO3/c22-19(13-17(20(23)24)15-7-2-1-3-8-15)21-18-12-6-10-14-9-4-5-11-16(14)18/h1-12,17H,13H2,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyACDRQFXHZIUFMF-QGZVFWFLSA-N
MW319.36 g/mol
LogP4.04
Rot. Bonds5

About (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid

(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid (PubChem CID 851942) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
PubChem CID851942
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
SMILESO=C(C[C@@H](C(=O)O)c1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C20H17NO3/c22-19(13-17(20(23)24)15-7-2-1-3-8-15)21-18-12-6-10-14-9-4-5-11-16(14)18/h1-12,17H,13H2,(H,21,22)(H,23,24)/t17-/m1/s1
InChIKeyACDRQFXHZIUFMF-QGZVFWFLSA-N
XLogP4.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2534796
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
CID 13306003
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
2-[[(1S)-2-methyl-1-phenylpropyl]amino]-N-naphthalen-1-ylacetamide
CID 9131594
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070
2-anilino-N-naphthalen-1-ylacetamide
CID 767556
(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
(2R)-4-(2,3-dichloroanilino)-2-(4-fluorophenyl)-4-oxobutanoic acid
CID 25470489
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid?
The IUPAC name of (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid (CID 851942) is (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid.
What is the SMILES notation for (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid?
The canonical SMILES for (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid is O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1cccc2ccccc12.
What is the InChIKey of (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid?
The InChIKey is ACDRQFXHZIUFMF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19(13-17(20(23)24)15-7-2-1-3-8-15)21-18-12-6-10-14-9-4-5-11-16(14)18/h1-12,17H,13H2,(H,21,22)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid?
(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid is sourced from PubChem (CID 851942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).