5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid

C20H30N2O4 — CID 122028048

IUPAC5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCC1(C)CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC(C)(C)O1
InChIInChI=1S/C20H30N2O4/c1-19(2)13-22(14-20(3,4)26-19)18(25)21-16(10-11-17(23)24)12-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,21,25)(H,23,24)
InChIKeyNYUZUZZRVXYODN-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.06
Rot. Bonds6

About 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid

5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 122028048) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID122028048
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESCC1(C)CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC(C)(C)O1
InChIInChI=1S/C20H30N2O4/c1-19(2)13-22(14-20(3,4)26-19)18(25)21-16(10-11-17(23)24)12-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,21,25)(H,23,24)
InChIKeyNYUZUZZRVXYODN-UHFFFAOYSA-N
XLogP3.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[3-methyl-3-(2,2,2-trifluoroethyl)azetidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027435
4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027723
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602
4-[[3-(hydroxymethyl)-3-propylpyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122027615
4-[[3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028070
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028242

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid (CID 122028048) is 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid is CC1(C)CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CC(C)(C)O1.
What is the InChIKey of 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is NYUZUZZRVXYODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-19(2)13-22(14-20(3,4)26-19)18(25)21-16(10-11-17(23)24)12-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3,(H,21,25)(H,23,24).
What are the key properties of 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid?
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid has a molecular weight of 362.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122028048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).