[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C21H27NO4 — CID 8952145

IUPAC[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCC[C@H](C)NC(=O)COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H27NO4/c1-5-6-14(2)22-20(23)13-26-21(24)15(3)16-7-8-18-12-19(25-4)10-9-17(18)11-16/h7-12,14-15H,5-6,13H2,1-4H3,(H,22,23)/t14-,15-/m0/s1
InChIKeyKRLNGHPKWIWPOY-GJZGRUSLSA-N
MW357.45 g/mol
LogP3.80
Rot. Bonds8

About [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952145) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952145
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCCC[C@H](C)NC(=O)COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C21H27NO4/c1-5-6-14(2)22-20(23)13-26-21(24)15(3)16-7-8-18-12-19(25-4)10-9-17(18)11-16/h7-12,14-15H,5-6,13H2,1-4H3,(H,22,23)/t14-,15-/m0/s1
InChIKeyKRLNGHPKWIWPOY-GJZGRUSLSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate with MolForge

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Related Compounds

(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952748
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 18638382
(2-anilino-2-oxoethyl) (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951841
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952389
[2-oxo-2-(pentan-2-ylamino)ethyl] 6-methoxyquinoline-2-carboxylate
CID 16581486
[2-oxo-2-(2-phenylethylamino)ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951977
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)propanoate
CID 4773315
[2-(2-methylanilino)-2-oxoethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8951836
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952145) is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is CCC[C@H](C)NC(=O)COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is KRLNGHPKWIWPOY-GJZGRUSLSA-N. The full InChI is InChI=1S/C21H27NO4/c1-5-6-14(2)22-20(23)13-26-21(24)15(3)16-7-8-18-12-19(25-4)10-9-17(18)11-16/h7-12,14-15H,5-6,13H2,1-4H3,(H,22,23)/t14-,15-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 357.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).