(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid

C24H21NO2 — CID 18728959

IUPAC(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
SMILESO=C(O)[C@H](Cc1cccc2ccccc12)NCc1cccc2ccccc12
InChIInChI=1S/C24H21NO2/c26-24(27)23(15-19-11-5-9-17-7-1-3-13-21(17)19)25-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23,25H,15-16H2,(H,26,27)/t23-/m0/s1
InChIKeyQKGBZYHNVFCBJU-QHCPKHFHSA-N
MW355.44 g/mol
LogP4.78
Rot. Bonds6

About (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid

(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid (PubChem CID 18728959) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
PubChem CID18728959
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
SMILESO=C(O)[C@H](Cc1cccc2ccccc12)NCc1cccc2ccccc12
InChIInChI=1S/C24H21NO2/c26-24(27)23(15-19-11-5-9-17-7-1-3-13-21(17)19)25-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23,25H,15-16H2,(H,26,27)/t23-/m0/s1
InChIKeyQKGBZYHNVFCBJU-QHCPKHFHSA-N
XLogP4.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
N,4-dimethyl-2-(naphthalen-1-ylmethylamino)pentanamide
CID 43750519
(2S)-3-naphthalen-1-yl-2-(propylsulfonylamino)propanoic acid
CID 67206691
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
3-(1H-indol-3-yl)-2-(naphthalen-1-ylmethylcarbamoylamino)propanoic acid
CID 45331741
(2R)-4-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 107823520
(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261
N,N'-bis(naphthalen-1-ylmethyl)-1,2-diphenylethane-1,2-diamine
CID 66986622
3-naphthalen-1-yl-2-N-(naphthalen-1-ylmethyl)propane-1,2-diamine
CID 57250877
(2R)-2-(methylamino)-1-naphthalen-1-ylpentan-3-one
CID 142921923
2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259182
(2S)-2-[[(E)-hex-3-enoyl]amino]-3-naphthalen-1-ylpropanoic acid
CID 68734078

Frequently Asked Questions

What is the IUPAC name of (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid?
The IUPAC name of (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid (CID 18728959) is (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid.
What is the SMILES notation for (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid?
The canonical SMILES for (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid is O=C(O)[C@H](Cc1cccc2ccccc12)NCc1cccc2ccccc12.
What is the InChIKey of (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid?
The InChIKey is QKGBZYHNVFCBJU-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H21NO2/c26-24(27)23(15-19-11-5-9-17-7-1-3-13-21(17)19)25-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-14,23,25H,15-16H2,(H,26,27)/t23-/m0/s1.
What are the key properties of (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid?
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid has a molecular weight of 355.44 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid is sourced from PubChem (CID 18728959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).