[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

C19H22N2O5 — CID 8952307

IUPAC[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H22N2O5/c1-11(18(23)26-12(2)17(22)21-19(24)20-3)13-5-6-15-10-16(25-4)8-7-14(15)9-13/h5-12H,1-4H3,(H2,20,21,22,24)/t11-,12-/m0/s1
InChIKeyUCNXYLBMSSWYOM-RYUDHWBXSA-N
MW358.39 g/mol
LogP2.34
Rot. Bonds5

About [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 8952307) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID8952307
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C19H22N2O5/c1-11(18(23)26-12(2)17(22)21-19(24)20-3)13-5-6-15-10-16(25-4)8-7-14(15)9-13/h5-12H,1-4H3,(H2,20,21,22,24)/t11-,12-/m0/s1
InChIKeyUCNXYLBMSSWYOM-RYUDHWBXSA-N
XLogP2.34
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952507
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952277
[(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952883
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952069
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
[(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952383
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
[(2S)-pentan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 18638382
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 8509276
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-methoxybenzoate
CID 16522210
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate (CID 8952307) is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is UCNXYLBMSSWYOM-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11(18(23)26-12(2)17(22)21-19(24)20-3)13-5-6-15-10-16(25-4)8-7-14(15)9-13/h5-12H,1-4H3,(H2,20,21,22,24)/t11-,12-/m0/s1.
What are the key properties of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate?
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 358.39 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 8952307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).