(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid

C20H22N2O4 — CID 21339337

IUPAC(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O4/c23-19(24)18(21-20(25)22-10-12-26-13-11-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,25)(H,23,24)/t18-/m0/s1
InChIKeySYSATRAAZLPZCW-SFHVURJKSA-N
MW354.41 g/mol
LogP2.39
Rot. Bonds5

About (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid

(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid (PubChem CID 21339337) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
PubChem CID21339337
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N1CCOCC1
InChIInChI=1S/C20H22N2O4/c23-19(24)18(21-20(25)22-10-12-26-13-11-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,25)(H,23,24)/t18-/m0/s1
InChIKeySYSATRAAZLPZCW-SFHVURJKSA-N
XLogP2.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-aminopentanoic acid;(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoic acid
CID 18631423
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
(2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoic acid
CID 942242
(2R)-2-(azepane-1-carbonylamino)-3-phenylpropanoic acid
CID 104901968
2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 21356519
(2R)-2-(morpholine-4-carbonylamino)-3-quinolin-6-ylpropanoic acid
CID 54018599
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
CID 68541836
CID 68541836
N-[(2S)-1-[[(2S)-4-methylsulfonyl-1-phenylbut-3-en-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]morpholine-4-carboxamide
CID 54508039
2-(morpholine-4-carbonylamino)-4-phenyl-3-sulfinobutanoic acid
CID 69425574
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
CID 102401839

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid (CID 21339337) is (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid is O=C(O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid?
The InChIKey is SYSATRAAZLPZCW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-19(24)18(21-20(25)22-10-12-26-13-11-22)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,21,25)(H,23,24)/t18-/m0/s1.
What are the key properties of (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid?
(2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid has a molecular weight of 354.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(morpholine-4-carbonylamino)-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 21339337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).