1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid

C19H25N3O6 — CID 120534234

IUPAC1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid
SMILESCN(CC(=O)N1CCCC(C(=O)O)C1)C(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C19H25N3O6/c1-21(12-18(25)22-9-5-6-14(11-22)19(26)27)17(24)10-20-16(23)13-28-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,20,23)(H,26,27)
InChIKeyLYDOMGSFRICCKF-UHFFFAOYSA-N
MW391.42 g/mol
LogP-0.04
Rot. Bonds8

About 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid

1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 120534234) has the molecular formula C19H25N3O6 and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid
PubChem CID120534234
Molecular FormulaC19H25N3O6
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid
SMILESCN(CC(=O)N1CCCC(C(=O)O)C1)C(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C19H25N3O6/c1-21(12-18(25)22-9-5-6-14(11-22)19(26)27)17(24)10-20-16(23)13-28-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,20,23)(H,26,27)
InChIKeyLYDOMGSFRICCKF-UHFFFAOYSA-N
XLogP-0.04
TPSA116.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689288
(3R)-1-[2-(4-methylphenoxy)acetyl]piperidine-3-carboxylic acid
CID 42257542
1-[2-[(2-phenoxyacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 119356620
(3R)-1-[3-(4-ethoxyphenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576550
1-[2-(4-propoxyphenoxy)acetyl]piperidine-3-carboxylic acid
CID 45429347
(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129466439
cis-(1R,3S)-3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120677745
N-(2-amino-2-methylpropyl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119626264
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
2-methyl-2-[methyl-[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]propanoic acid
CID 120518656
methyl 1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166518
N-methyl-N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47163246

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid (CID 120534234) is 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid is CN(CC(=O)N1CCCC(C(=O)O)C1)C(=O)CNC(=O)COc1ccccc1.
What is the InChIKey of 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is LYDOMGSFRICCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6/c1-21(12-18(25)22-9-5-6-14(11-22)19(26)27)17(24)10-20-16(23)13-28-15-7-3-2-4-8-15/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,20,23)(H,26,27).
What are the key properties of 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid?
1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 391.42 g/mol, XLogP of -0.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[2-[(2-phenoxyacetyl)amino]acetyl]amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120534234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).