(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid

C18H24N2O6 — CID 18638877

IUPAC(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid
SMILESC[C@H](C(=O)N1CCOCC1)N(C)C(=O)O[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H24N2O6/c1-13(16(21)20-8-10-25-11-9-20)19(2)18(24)26-15(17(22)23)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,23)/t13-,15+/m1/s1
InChIKeyWABBVTHFOBUNGW-HIFRSBDPSA-N
MW364.40 g/mol
LogP1.00
Rot. Bonds6

About (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid

(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid (PubChem CID 18638877) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid
PubChem CID18638877
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid
SMILESC[C@H](C(=O)N1CCOCC1)N(C)C(=O)O[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H24N2O6/c1-13(16(21)20-8-10-25-11-9-20)19(2)18(24)26-15(17(22)23)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,23)/t13-,15+/m1/s1
InChIKeyWABBVTHFOBUNGW-HIFRSBDPSA-N
XLogP1.00
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid
CID 19753755
benzyl (2S)-2-[methyl-[3-[methyl(morpholine-4-carbonyl)amino]propyl]carbamoyl]oxy-3-phenylpropanoate
CID 18639020
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide
CID 95302963
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158
2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
CID 61015072
2-[[dimethylcarbamoyl(methyl)amino]-methylcarbamoyl]oxy-3-phenylpropanoic acid
CID 19753965
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
(2S)-2-[methyl-[methyl(2-methylpropoxycarbonyl)amino]carbamoyl]oxy-3-phenylpropanoic acid
CID 18638910
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70053583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid (CID 18638877) is (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid is C[C@H](C(=O)N1CCOCC1)N(C)C(=O)O[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid?
The InChIKey is WABBVTHFOBUNGW-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-13(16(21)20-8-10-25-11-9-20)19(2)18(24)26-15(17(22)23)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,22,23)/t13-,15+/m1/s1.
What are the key properties of (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid?
(2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid has a molecular weight of 364.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[methyl-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamoyl]oxy-3-phenylpropanoic acid is sourced from PubChem (CID 18638877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).