(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid

C18H25N3O5 — CID 22858674

IUPAC(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid
SMILESCN(CCC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H25N3O5/c1-20(8-7-16(22)21-9-11-26-12-10-21)18(25)19-15(17(23)24)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,19,25)(H,23,24)/t15-/m0/s1
InChIKeyFTFNSWIOVVIAMD-HNNXBMFYSA-N
MW363.41 g/mol
LogP0.57
Rot. Bonds7

About (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid

(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid (PubChem CID 22858674) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid
PubChem CID22858674
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid
SMILESCN(CCC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H25N3O5/c1-20(8-7-16(22)21-9-11-26-12-10-21)18(25)19-15(17(23)24)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,19,25)(H,23,24)/t15-/m0/s1
InChIKeyFTFNSWIOVVIAMD-HNNXBMFYSA-N
XLogP0.57
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
(2R)-2-[[methyl(propyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 104902324
(2S)-2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 61198806
[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl] 3-phenylpropaneperoxoate
CID 57083909
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 21339337
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
CID 18631423
2-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]oxy-3-phenylpropanoic acid
CID 19753755
(2R)-2-[[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]amino]-3-phenylpropanoic acid
CID 104902445
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid (CID 22858674) is (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid is CN(CCC(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid?
The InChIKey is FTFNSWIOVVIAMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-20(8-7-16(22)21-9-11-26-12-10-21)18(25)19-15(17(23)24)13-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,19,25)(H,23,24)/t15-/m0/s1.
What are the key properties of (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid?
(2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid has a molecular weight of 363.41 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[methyl-(3-morpholin-4-yl-3-oxopropyl)carbamoyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 22858674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).