2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid

C19H16N2O3 — CID 13306003

IUPAC2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(Nc1cccc2ccccc12)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18(23)17(14-8-2-1-3-9-14)21-19(24)20-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H,22,23)(H2,20,21,24)
InChIKeyWMHWLAHNMGYKHN-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.79
Rot. Bonds4

About 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid

2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid (PubChem CID 13306003) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
PubChem CID13306003
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid
SMILESO=C(Nc1cccc2ccccc12)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18(23)17(14-8-2-1-3-9-14)21-19(24)20-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H,22,23)(H2,20,21,24)
InChIKeyWMHWLAHNMGYKHN-UHFFFAOYSA-N
XLogP3.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(naphthalen-1-ylcarbamoylamino)butanedioic acid
CID 40606625
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880
(2S)-2-[(2-chlorophenyl)carbamoylamino]-2-phenylacetic acid
CID 104897065
(2R)-2-(naphthalen-1-ylcarbamoylamino)pentanedioic acid
CID 95559600
(2S)-4-hydroxy-2-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107823831
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
(2R)-2-[[(1R)-1-naphthalen-1-ylethyl]carbamoylamino]-2-phenylacetic acid
CID 14671446
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
(2R)-4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
CID 851942

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid?
The IUPAC name of 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid (CID 13306003) is 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid is O=C(Nc1cccc2ccccc12)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid?
The InChIKey is WMHWLAHNMGYKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18(23)17(14-8-2-1-3-9-14)21-19(24)20-16-12-6-10-13-7-4-5-11-15(13)16/h1-12,17H,(H,22,23)(H2,20,21,24).
What are the key properties of 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid?
2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid has a molecular weight of 320.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylcarbamoylamino)-2-phenylacetic acid is sourced from PubChem (CID 13306003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).