3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid

C22H29NO3 — CID 139753327

IUPAC3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
SMILESCCCCCCCCC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C22H29NO3/c1-2-3-4-5-6-7-12-21(24)23-20(22(25)26)16-17-13-14-18-10-8-9-11-19(18)15-17/h8-11,13-15,20H,2-7,12,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyMUNRZQVSRNELSE-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.70
Rot. Bonds11

About 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid

3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid (PubChem CID 139753327) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid.

Molecular Properties

Compound Name3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
PubChem CID139753327
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid
SMILESCCCCCCCCC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C22H29NO3/c1-2-3-4-5-6-7-12-21(24)23-20(22(25)26)16-17-13-14-18-10-8-9-11-19(18)15-17/h8-11,13-15,20H,2-7,12,16H2,1H3,(H,23,24)(H,25,26)
InChIKeyMUNRZQVSRNELSE-UHFFFAOYSA-N
XLogP4.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
N-[(2S)-1-(benzylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]heptanamide
CID 140518662
CID 160842704
CID 160842704
(2R)-3-(4-hydroxyphenyl)-2-(icosanoylamino)propanoic acid
CID 6709905
3-naphthalen-2-yl-2-[(2-phenylacetyl)amino]propanoic acid
CID 139753355
(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[3-(4-pentylphenyl)propanoylamino]propanoyl]amino]propanoyl]amino]-3-naphthalen-2-ylpropanoic acid
CID 102214300
2-(hexadecanoylamino)-3-naphthalen-1-ylpropanoic acid
CID 23093240
4-amino-3-[[4-amino-2-[[2-(decanoylamino)-3-naphthalen-2-ylpropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 59065064
2-(2-ethylhexanoylamino)-3-naphthalen-2-ylpropanoic acid
CID 139753313

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid?
The IUPAC name of 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid (CID 139753327) is 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid.
What is the SMILES notation for 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid?
The canonical SMILES for 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid is CCCCCCCCC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid?
The InChIKey is MUNRZQVSRNELSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-2-3-4-5-6-7-12-21(24)23-20(22(25)26)16-17-13-14-18-10-8-9-11-19(18)15-17/h8-11,13-15,20H,2-7,12,16H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid?
3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid has a molecular weight of 355.48 g/mol, XLogP of 4.70, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2-(nonanoylamino)propanoic acid is sourced from PubChem (CID 139753327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).