2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid

C27H24N2O4 — CID 77473542

IUPAC2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(Cc1cccc2ccccc12)NC(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C27H24N2O4/c1-17(27(32)33)28-26(31)24(16-20-12-6-10-18-8-2-4-13-21(18)20)29-25(30)23-15-7-11-19-9-3-5-14-22(19)23/h2-15,17,24H,16H2,1H3,(H,28,31)(H,29,30)(H,32,33)
InChIKeyZNVOCEMFWQSKLE-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.92
Rot. Bonds7

About 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid

2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid (PubChem CID 77473542) has the molecular formula C27H24N2O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
PubChem CID77473542
Molecular FormulaC27H24N2O4
Molecular Weight440.50 g/mol
Exact Mass440.17
IUPAC Name2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
SMILESCC(NC(=O)C(Cc1cccc2ccccc12)NC(=O)c1cccc2ccccc12)C(=O)O
InChIInChI=1S/C27H24N2O4/c1-17(27(32)33)28-26(31)24(16-20-12-6-10-18-8-2-4-13-21(18)20)29-25(30)23-15-7-11-19-9-3-5-14-22(19)23/h2-15,17,24H,16H2,1H3,(H,28,31)(H,29,30)(H,32,33)
InChIKeyZNVOCEMFWQSKLE-UHFFFAOYSA-N
XLogP3.92
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
[(1R)-3-methyl-1-[[(2S)-2-(naphthalene-1-carbonylamino)-3-phenylpropanoyl]amino]butyl]boronic acid
CID 102483235
N-[(2S)-3-naphthalen-1-yl-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]propan-2-yl]amino]propan-2-yl]benzamide
CID 56597574
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959
(2S)-2-[[(2R)-2-benzamido-3-naphthalen-2-ylpropanoyl]amino]propanoic acid
CID 71136157
2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid
CID 77473548
2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
(2S)-2-[[(2S)-2-[[(3S,4S)-3-[(2R,3S)-2-amino-3-methylpentanoyl]oxy-4-methyldodecanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]propanoic acid
CID 11467633
(2R)-2-(methylamino)-1-naphthalen-1-ylpentan-3-one
CID 142921923

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid (CID 77473542) is 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid is CC(NC(=O)C(Cc1cccc2ccccc12)NC(=O)c1cccc2ccccc12)C(=O)O.
What is the InChIKey of 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid?
The InChIKey is ZNVOCEMFWQSKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O4/c1-17(27(32)33)28-26(31)24(16-20-12-6-10-18-8-2-4-13-21(18)20)29-25(30)23-15-7-11-19-9-3-5-14-22(19)23/h2-15,17,24H,16H2,1H3,(H,28,31)(H,29,30)(H,32,33).
What are the key properties of 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid?
2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid has a molecular weight of 440.50 g/mol, XLogP of 3.92, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(naphthalene-1-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]propanoic acid is sourced from PubChem (CID 77473542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).