(3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid

C17H24N2O4 — CID 126434254

IUPAC(3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid
SMILESCC(C)(C(=O)N[C@H](CC(=O)O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-17(2,19-8-10-23-11-9-19)16(22)18-14(12-15(20)21)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,18,22)(H,20,21)/t14-/m1/s1
InChIKeyXNJDTRODACZDQH-CQSZACIVSA-N
MW320.39 g/mol
LogP1.43
Rot. Bonds6

About (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid

(3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid (PubChem CID 126434254) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid
PubChem CID126434254
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name(3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid
SMILESCC(C)(C(=O)N[C@H](CC(=O)O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C17H24N2O4/c1-17(2,19-8-10-23-11-9-19)16(22)18-14(12-15(20)21)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,18,22)(H,20,21)/t14-/m1/s1
InChIKeyXNJDTRODACZDQH-CQSZACIVSA-N
XLogP1.43
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-yl-1-phenylethyl)-2-methyl-2-morpholin-4-ylpropanamide
CID 91828526
N-(2-methyl-2-morpholin-4-ylpropyl)-3-phenylbutanamide
CID 4801976
(3R)-3-(tert-butylcarbamoylamino)-3-phenylpropanoic acid
CID 28785757
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-methyl-2-morpholin-4-yl-N-(1-phenylpropyl)propan-1-amine
CID 43202117
3-(4-tert-butylphenyl)-3-(oxane-4-carbonylamino)propanoic acid
CID 119209982
3-phenyl-3-(2,2,3,3-tetrafluoropropanoylamino)propanoic acid
CID 103804023
N-[(1S)-2-hydroxy-1-phenylethyl]-2,2-dimethyl-3-(oxan-4-yl)propanamide
CID 110001751
2,2-dimethyl-N-(3-oxo-1,3-diphenylpropyl)propanamide
CID 11120437
1-[4-(2-hydroxy-2-phenylethoxy)phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866876
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid (CID 126434254) is (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid is CC(C)(C(=O)N[C@H](CC(=O)O)c1ccccc1)N1CCOCC1.
What is the InChIKey of (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid?
The InChIKey is XNJDTRODACZDQH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-17(2,19-8-10-23-11-9-19)16(22)18-14(12-15(20)21)13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,18,22)(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid?
(3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid has a molecular weight of 320.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methyl-2-morpholin-4-ylpropanoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 126434254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).