(2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid

C16H22N2O4 — CID 664127

IUPAC(2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC(C)O1
InChIInChI=1S/C16H22N2O4/c1-11-9-18(10-12(2)22-11)16(21)17-14(15(19)20)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,21)(H,19,20)/t11?,12?,14-/m0/s1
InChIKeyZJOGADBZWGFYOX-YIZWMMSDSA-N
MW306.36 g/mol
LogP1.50
Rot. Bonds4

About (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid

(2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid (PubChem CID 664127) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid
PubChem CID664127
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name(2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid
SMILESCC1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC(C)O1
InChIInChI=1S/C16H22N2O4/c1-11-9-18(10-12(2)22-11)16(21)17-14(15(19)20)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,21)(H,19,20)/t11?,12?,14-/m0/s1
InChIKeyZJOGADBZWGFYOX-YIZWMMSDSA-N
XLogP1.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid (CID 664127) is (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid is CC1CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC(C)O1.
What is the InChIKey of (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid?
The InChIKey is ZJOGADBZWGFYOX-YIZWMMSDSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-11-9-18(10-12(2)22-11)16(21)17-14(15(19)20)8-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,21)(H,19,20)/t11?,12?,14-/m0/s1.
What are the key properties of (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid?
(2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid has a molecular weight of 306.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 664127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).