(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid

C16H22N2O4 — CID 15172733

IUPAC(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
SMILESC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-12(16(20)21)17-14(11-13-5-3-2-4-6-13)15(19)18-7-9-22-10-8-18/h2-6,12,14,17H,7-11H2,1H3,(H,20,21)/t12-,14+/m0/s1
InChIKeyUCHSAEDXNSBPRP-GXTWGEPZSA-N
MW306.36 g/mol
LogP0.52
Rot. Bonds6

About (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid

(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid (PubChem CID 15172733) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
PubChem CID15172733
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
SMILESC[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C16H22N2O4/c1-12(16(20)21)17-14(11-13-5-3-2-4-6-13)15(19)18-7-9-22-10-8-18/h2-6,12,14,17H,7-11H2,1H3,(H,20,21)/t12-,14+/m0/s1
InChIKeyUCHSAEDXNSBPRP-GXTWGEPZSA-N
XLogP0.52
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid with MolForge

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Launch Full Analysis

Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]propane-1-sulfonamide
CID 110347269
N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 9117695
[(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
(2S,3R,6S)-2,6-dibenzyl-3-methyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
CID 70026990
(2S)-2-[[methyl-[2-[methyl(morpholine-4-carbonyl)amino]ethyl]carbamoyl]amino]-3-phenylpropanoic acid
CID 14996791
4-methyl-N-[1-[16-[2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 4263217
2-(2-methoxyphenoxy)-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347257
2,4,6-trimethyl-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30142954
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1-phenylmethanesulfonamide
CID 51087827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid (CID 15172733) is (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid is C[C@H](N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid?
The InChIKey is UCHSAEDXNSBPRP-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(16(20)21)17-14(11-13-5-3-2-4-6-13)15(19)18-7-9-22-10-8-18/h2-6,12,14,17H,7-11H2,1H3,(H,20,21)/t12-,14+/m0/s1.
What are the key properties of (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid?
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid has a molecular weight of 306.36 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid is sourced from PubChem (CID 15172733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).