(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid

C16H19NO2 — CID 125045111

IUPAC(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
SMILESCCCN(c1cccc2ccccc12)[C@H](C)C(=O)O
InChIInChI=1S/C16H19NO2/c1-3-11-17(12(2)16(18)19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyOQKPRHQKSXKHHE-GFCCVEGCSA-N
MW257.33 g/mol
LogP3.53
Rot. Bonds5

About (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid

(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid (PubChem CID 125045111) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
PubChem CID125045111
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid
SMILESCCCN(c1cccc2ccccc12)[C@H](C)C(=O)O
InChIInChI=1S/C16H19NO2/c1-3-11-17(12(2)16(18)19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyOQKPRHQKSXKHHE-GFCCVEGCSA-N
XLogP3.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino(naphthalen-1-yl)amino]propanoic acid
CID 68905230
2-methyl-3-[naphthalen-1-yl(propan-2-yl)amino]propanoic acid
CID 82318728
2-[N-(2-carboxyethyl)-2-ethylanilino]propanoic acid
CID 82317140
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
(2R)-2-(4-methoxy-N-propylanilino)propanoic acid
CID 125045208
(2S)-2-[naphthalen-1-yl(phenylmethoxycarbonyl)amino]propanoic acid
CID 18638332
(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
CID 125045091
2-(2-methoxy-5-methyl-N-propylanilino)propanoic acid
CID 133150456
(2S)-2-(2-methoxy-5-methyl-N-propylanilino)propanoic acid
CID 100521538
2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
CID 133150394
(2R)-2-chloro-N-ethyl-N-naphthalen-1-ylpropanamide
CID 2529538
(2R)-2-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 94522375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid (CID 125045111) is (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid is CCCN(c1cccc2ccccc12)[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid?
The InChIKey is OQKPRHQKSXKHHE-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-11-17(12(2)16(18)19)15-10-6-8-13-7-4-5-9-14(13)15/h4-10,12H,3,11H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid?
(2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[naphthalen-1-yl(propyl)amino]propanoic acid is sourced from PubChem (CID 125045111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).