methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate

C17H23N3O5 — CID 94167830

IUPACmethyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1
InChIInChI=1S/C17H23N3O5/c1-12-11-20(7-8-25-12)17(23)19-14-5-3-13(4-6-14)9-15(21)18-10-16(22)24-2/h3-6,12H,7-11H2,1-2H3,(H,18,21)(H,19,23)/t12-/m0/s1
InChIKeyPHGLQECSXCQVKB-LBPRGKRZSA-N
MW349.39 g/mol
LogP0.77
Rot. Bonds5

About methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate (PubChem CID 94167830) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
PubChem CID94167830
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Namemethyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1
InChIInChI=1S/C17H23N3O5/c1-12-11-20(7-8-25-12)17(23)19-14-5-3-13(4-6-14)9-15(21)18-10-16(22)24-2/h3-6,12H,7-11H2,1-2H3,(H,18,21)(H,19,23)/t12-/m0/s1
InChIKeyPHGLQECSXCQVKB-LBPRGKRZSA-N
XLogP0.77
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-[4-(thiomorpholine-4-carbonylamino)phenyl]acetyl]amino]acetate
CID 47040933
2-methyl-N-(4-methylsulfonylphenyl)morpholine-4-carboxamide
CID 47198060
methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119711546
(2R)-2-methyl-N-[4-(propylsulfonylamino)phenyl]morpholine-4-carboxamide
CID 95772641
ethyl (E)-3-[4-[[(2R)-2-methylmorpholine-4-carbonyl]amino]phenyl]prop-2-enoate
CID 94163940
2-[4-[(3,4-dimethylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 63605276
1-(4-bromophenyl)-3-[2-(2-methylmorpholin-4-yl)-2-oxoethyl]urea
CID 171933307
2-[4-[(3,5-dimethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61191743
(2R)-N-(3-acetamido-4-methylphenyl)-2-methylmorpholine-4-carboxamide
CID 94183755
2-chloro-4-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 61398640
methyl 2-[[2-[4-[[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 55781812
N-[4-(2-methylmorpholin-4-yl)phenyl]-2-phenylacetamide
CID 110637265

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate (CID 94167830) is methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate?
The InChIKey is PHGLQECSXCQVKB-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-12-11-20(7-8-25-12)17(23)19-14-5-3-13(4-6-14)9-15(21)18-10-16(22)24-2/h3-6,12H,7-11H2,1-2H3,(H,18,21)(H,19,23)/t12-/m0/s1.
What are the key properties of methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate has a molecular weight of 349.39 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[[(2S)-2-methylmorpholine-4-carbonyl]amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 94167830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).