2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid

C23H21NO3 — CID 166319656

IUPAC2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)C1CCC1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H21NO3/c25-22(20-14-13-18(20)15-7-2-1-3-8-15)24-21(23(26)27)19-12-6-10-16-9-4-5-11-17(16)19/h1-12,18,20-21H,13-14H2,(H,24,25)(H,26,27)
InChIKeyZBVOWJIXJDZDLN-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.28
Rot. Bonds5

About 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid

2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid (PubChem CID 166319656) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid
PubChem CID166319656
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)C1CCC1c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C23H21NO3/c25-22(20-14-13-18(20)15-7-2-1-3-8-15)24-21(23(26)27)19-12-6-10-16-9-4-5-11-17(16)19/h1-12,18,20-21H,13-14H2,(H,24,25)(H,26,27)
InChIKeyZBVOWJIXJDZDLN-UHFFFAOYSA-N
XLogP4.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
CID 146236952
(1R)-N-naphthalen-1-yl-2-phenylcyclobutane-1-carboxamide
CID 146488931
2-[(4-hydroxycyclohexyl)amino]-2-naphthalen-1-ylacetic acid
CID 84747241
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-naphthalen-1-ylacetic acid
CID 51441106
2-formamido-2-naphthalen-1-ylacetic acid
CID 63689501
trans-(2R,3R)-N-[(1S)-1-naphthalen-1-ylethyl]-2,3-diphenylcyclopropane-1-carboxamide
CID 11440730
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid
CID 155964479
(2R)-2-(1-hydroxy-4-methylcyclohexyl)-2-naphthalen-1-ylacetic acid
CID 129386565
2-(3-formyl-4-phenylpyrrolidin-1-yl)-2-naphthalen-1-ylacetic acid
CID 21180851
2-[2-(dimethylamino)ethylamino]-2-naphthalen-1-ylacetic acid
CID 61001910
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid?
The IUPAC name of 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid (CID 166319656) is 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid is O=C(O)C(NC(=O)C1CCC1c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid?
The InChIKey is ZBVOWJIXJDZDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c25-22(20-14-13-18(20)15-7-2-1-3-8-15)24-21(23(26)27)19-12-6-10-16-9-4-5-11-17(16)19/h1-12,18,20-21H,13-14H2,(H,24,25)(H,26,27).
What are the key properties of 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid?
2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid has a molecular weight of 359.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid is sourced from PubChem (CID 166319656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).