propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate

C18H26N2O4 — CID 124505489

IUPACpropan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate
SMILESCC(C)OC(=O)[C@H](C)CNC(=O)N1CCOC[C@@H]1c1ccccc1
InChIInChI=1S/C18H26N2O4/c1-13(2)24-17(21)14(3)11-19-18(22)20-9-10-23-12-16(20)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,22)/t14-,16-/m1/s1
InChIKeyWZOVWSXSXBMLHH-GDBMZVCRSA-N
MW334.42 g/mol
LogP2.36
Rot. Bonds5

About propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate

propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate (PubChem CID 124505489) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate
PubChem CID124505489
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namepropan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate
SMILESCC(C)OC(=O)[C@H](C)CNC(=O)N1CCOC[C@@H]1c1ccccc1
InChIInChI=1S/C18H26N2O4/c1-13(2)24-17(21)14(3)11-19-18(22)20-9-10-23-12-16(20)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,22)/t14-,16-/m1/s1
InChIKeyWZOVWSXSXBMLHH-GDBMZVCRSA-N
XLogP2.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethylpropyl)-3-phenylmorpholine-4-carboxamide
CID 110748599
4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 129468648
ethyl 4-[(3-phenylmorpholine-4-carbonyl)amino]benzoate
CID 130248478
2-amino-1-(3-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119337230
propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
CID 94044030
N-(4-acetylphenyl)-3-phenylmorpholine-4-carboxamide
CID 84525724
(3R)-N-[(2S)-2-methoxy-2-phenylethyl]-3-(5-methylfuran-2-yl)morpholine-4-carboxamide
CID 97071356
3-phenyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728347
2-phenoxy-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728348
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-phenylmorpholine-4-carboxamide
CID 71870397
(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide
CID 122154833
1-(3-phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate?
The IUPAC name of propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate (CID 124505489) is propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate?
The canonical SMILES for propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate is CC(C)OC(=O)[C@H](C)CNC(=O)N1CCOC[C@@H]1c1ccccc1.
What is the InChIKey of propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate?
The InChIKey is WZOVWSXSXBMLHH-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13(2)24-17(21)14(3)11-19-18(22)20-9-10-23-12-16(20)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3,(H,19,22)/t14-,16-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate?
propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate has a molecular weight of 334.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-methyl-3-[[(3S)-3-phenylmorpholine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 124505489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).