methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate

C16H22N2O4 — CID 16759620

IUPACmethyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C16H22N2O4/c1-11-13(15(19)22-3)14(12-7-5-4-6-8-12)17-16(20)18(11)9-10-21-2/h4-8,11,13-14H,9-10H2,1-3H3,(H,17,20)/t11-,13+,14+/m1/s1
InChIKeyAUHFYJRIJOBVOL-XBFCOCLRSA-N
MW306.36 g/mol
LogP1.58
Rot. Bonds5

About methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate

methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate (PubChem CID 16759620) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
PubChem CID16759620
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
SMILESCOCCN1C(=O)N[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C16H22N2O4/c1-11-13(15(19)22-3)14(12-7-5-4-6-8-12)17-16(20)18(11)9-10-21-2/h4-8,11,13-14H,9-10H2,1-3H3,(H,17,20)/t11-,13+,14+/m1/s1
InChIKeyAUHFYJRIJOBVOL-XBFCOCLRSA-N
XLogP1.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(S)-2-(3-Benzyl-ureido)-3-phenyl-propionic acid methyl ester
CID 1996476
(R)-2-(3-Benzyl-3-methyl-ureido)-3-phenyl-propionic acid methyl ester
CID 2026523
(R)-2-(3-Allyl-ureido)-3-phenyl-propionic acid methyl ester
CID 2033257
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
(R)-2-[(2-Ethyl-piperidine-1-carbonyl)-amino]-3-phenyl-propionic acid methyl ester
CID 16681789
Pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-1-(2-hydroxyethyl)-6-methyl-2-oxo-4-phenyl-, ethyl ester
CID 614956
(4S,5S,6R)-1-benzyl-2-keto-6-methyl-4-phenethyl-hexahydropyrimidine-5-carboxylic acid methyl ester
CID 16759673
ethyl 2-[(4S,5S,6R)-5-acetyl-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]acetate
CID 16759623
(S)-methyl 2-(3-(3-ethoxypropyl)ureido)-3-phenylpropanoate
CID 661939
(2S)-2-(2,6-dimethylmorpholine-4-carboxamido)-3-phenylpropanoic acid
CID 664127
methyl N-[(1-benzylpiperidin-4-yl)carbamoyl]-L-valinate
CID 664811
(S)-2-[3-(1-Benzyl-piperidin-4-yl)-ureido]-propionic acid methyl ester
CID 5423793

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The IUPAC name of methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate (CID 16759620) is methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate.
What is the SMILES notation for methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The canonical SMILES for methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate is COCCN1C(=O)N[C@@H](c2ccccc2)[C@@H](C(=O)OC)[C@H]1C.
What is the InChIKey of methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The InChIKey is AUHFYJRIJOBVOL-XBFCOCLRSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-13(15(19)22-3)14(12-7-5-4-6-8-12)17-16(20)18(11)9-10-21-2/h4-8,11,13-14H,9-10H2,1-3H3,(H,17,20)/t11-,13+,14+/m1/s1.
What are the key properties of methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R,6R)-1-(2-methoxyethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 16759620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).