(2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid

C17H17NO3 — CID 68732827

IUPAC(2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid
SMILESC=CN(C(C)=O)[C@@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C17H17NO3/c1-3-18(12(2)19)16(17(20)21)11-14-9-6-8-13-7-4-5-10-15(13)14/h3-10,16H,1,11H2,2H3,(H,20,21)/t16-/m0/s1
InChIKeyAJEGPWFENJCQDP-INIZCTEOSA-N
MW283.33 g/mol
LogP2.83
Rot. Bonds5

About (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid

(2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid (PubChem CID 68732827) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid
PubChem CID68732827
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid
SMILESC=CN(C(C)=O)[C@@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C17H17NO3/c1-3-18(12(2)19)16(17(20)21)11-14-9-6-8-13-7-4-5-10-15(13)14/h3-10,16H,1,11H2,2H3,(H,20,21)/t16-/m0/s1
InChIKeyAJEGPWFENJCQDP-INIZCTEOSA-N
XLogP2.83
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-1-yl-2-[propyl(sulfino)amino]propanoic acid
CID 77240779
2-[methyl-[3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanoyl]amino]propanoic acid
CID 67597873
(2R)-2-(hydroxymethyl)-3-naphthalen-1-ylpropanoic acid
CID 10466391
3-amino-4-naphthalen-1-ylbutan-2-one
CID 90132705
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
2-formamido-3-naphthalen-1-ylpropanoic acid
CID 23093218
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375
2-(2-methylpropoxy)-3-naphthalen-1-ylpropanoic acid
CID 133245285
3-[methyl(1-naphthalen-1-ylbutan-2-yl)amino]propanoic acid
CID 84751600
acetyl 2-hydroxy-3-naphthalen-1-ylpropanoate
CID 139612906
carbonic acid;formaldehyde;1-prop-2-enylnaphthalene
CID 175360952
(2S)-3-naphthalen-1-yl-2-(naphthalen-1-ylmethylamino)propanoic acid
CID 18728959

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid (CID 68732827) is (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid is C=CN(C(C)=O)[C@@H](Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid?
The InChIKey is AJEGPWFENJCQDP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-18(12(2)19)16(17(20)21)11-14-9-6-8-13-7-4-5-10-15(13)14/h3-10,16H,1,11H2,2H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid?
(2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[acetyl(ethenyl)amino]-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 68732827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).