methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate

C19H22N2O5 — CID 95551662

IUPACmethyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C19H22N2O5/c1-24-16-6-5-13-9-15(4-3-14(13)10-16)17-12-21(7-8-26-17)19(23)20-11-18(22)25-2/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyLODHYYQWTWCBFL-QGZVFWFLSA-N
MW358.39 g/mol
LogP2.10
Rot. Bonds4

About methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate

methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate (PubChem CID 95551662) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
PubChem CID95551662
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Namemethyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1
InChIInChI=1S/C19H22N2O5/c1-24-16-6-5-13-9-15(4-3-14(13)10-16)17-12-21(7-8-26-17)19(23)20-11-18(22)25-2/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyLODHYYQWTWCBFL-QGZVFWFLSA-N
XLogP2.10
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate with MolForge

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Related Compounds

methyl N-[2-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-2-oxoethyl]carbamate
CID 95463844
methyl 2-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]acetate
CID 95558883
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562776
1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]butane-1,2-dione
CID 95562775
N-[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]acetamide
CID 95549089
[3-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-3-oxopropyl]urea
CID 95525209
2-(4-hydroxyphenyl)-1-[(2R)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95545231
1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-4-methylpentane-1,2-dione
CID 95545475
3-amino-1-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]propan-1-one;hydrochloride
CID 154892310
2-(diethylamino)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]ethanone
CID 95455738
methyl 5-[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]pentanoate
CID 56871644
[2-(6-methoxynaphthalen-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 56866342

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate (CID 95551662) is methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)N1CCO[C@@H](c2ccc3cc(OC)ccc3c2)C1.
What is the InChIKey of methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate?
The InChIKey is LODHYYQWTWCBFL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-24-16-6-5-13-9-15(4-3-14(13)10-16)17-12-21(7-8-26-17)19(23)20-11-18(22)25-2/h3-6,9-10,17H,7-8,11-12H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate?
methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate has a molecular weight of 358.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-2-(6-methoxynaphthalen-2-yl)morpholine-4-carbonyl]amino]acetate is sourced from PubChem (CID 95551662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).