methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate

C14H26N2O4 — CID 946677

IUPACmethyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate
SMILESCC[C@@H](C)[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC
InChIInChI=1S/C14H26N2O4/c1-6-9(2)12(13(17)19-5)15-14(18)16-7-10(3)20-11(4)8-16/h9-12H,6-8H2,1-5H3,(H,15,18)/t9-,10-,11+,12+/m1/s1
InChIKeyIOZNXXFFJKNHDH-WYUUTHIRSA-N
MW286.37 g/mol
LogP1.39
Rot. Bonds4

About methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate

methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate (PubChem CID 946677) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate
PubChem CID946677
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namemethyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate
SMILESCC[C@@H](C)[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC
InChIInChI=1S/C14H26N2O4/c1-6-9(2)12(13(17)19-5)15-14(18)16-7-10(3)20-11(4)8-16/h9-12H,6-8H2,1-5H3,(H,15,18)/t9-,10-,11+,12+/m1/s1
InChIKeyIOZNXXFFJKNHDH-WYUUTHIRSA-N
XLogP1.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate with MolForge

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Related Compounds

methyl (2S)-3-methyl-2-[(4-methylpiperidine-1-carbonyl)amino]butanoate
CID 944219
(S)-methyl 4-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 944347
(S)-3-Methyl-2-[(piperidine-1-carbonyl)-amino]-pentanoic acid methyl ester
CID 16682292
(2S)-methyl 4-methyl-2-(2-methylpiperidine-1-carboxamido)pentanoate
CID 16682389
(S)-2-[3-(3-Isopropoxy-propyl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 16682446
(2S,3R)-methyl 3-methyl-2-(3-(3-morpholinopropyl)ureido)pentanoate
CID 663402
methyl (2S)-3-methyl-2-(oxolan-2-ylmethylcarbamoylamino)pentanoate
CID 663411
(S)-2-[3-(3-Butoxy-propyl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 16682459
(S)-3-Methyl-2-[(4-methyl-piperazine-1-carbonyl)-amino]-pentanoic acid methyl ester
CID 12004626
(S)-methyl 4-methyl-2-(piperidine-1-carboxamido)pentanoate
CID 938928
(2S,3R)-methyl 3-methyl-2-(4-methylpiperidine-1-carboxamido)pentanoate
CID 16405217
(S)-2-[3-(3-Ethoxy-propyl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 16682480

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate?
The IUPAC name of methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate (CID 946677) is methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate is CC[C@@H](C)[C@H](NC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)OC.
What is the InChIKey of methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate?
The InChIKey is IOZNXXFFJKNHDH-WYUUTHIRSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-6-9(2)12(13(17)19-5)15-14(18)16-7-10(3)20-11(4)8-16/h9-12H,6-8H2,1-5H3,(H,15,18)/t9-,10-,11+,12+/m1/s1.
What are the key properties of methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate?
methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate has a molecular weight of 286.37 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-methylpentanoate is sourced from PubChem (CID 946677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).