2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid

C15H26N2O4 — CID 107393934

IUPAC2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCOC1(C)CCCN(C(=O)N(CC(=O)O)C2CCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(21-2)8-5-9-16(11-15)14(20)17(10-13(18)19)12-6-3-4-7-12/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyZKQGDHQTDHJUFP-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.94
Rot. Bonds4

About 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid

2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid (PubChem CID 107393934) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
PubChem CID107393934
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
SMILESCOC1(C)CCCN(C(=O)N(CC(=O)O)C2CCCC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(21-2)8-5-9-16(11-15)14(20)17(10-13(18)19)12-6-3-4-7-12/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyZKQGDHQTDHJUFP-UHFFFAOYSA-N
XLogP1.94
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107393992
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
2-[cyclopentyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]acetic acid
CID 62966758
2-[cyclopentyl-(3-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61200673
2-[cyclopropyl-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 106320560
3-cyclopropyl-3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107393967
methyl 2-[cyclopentyl(piperidine-1-carbonyl)amino]acetate
CID 113330694
2-methoxy-1-(3-methoxy-3-methylpiperidin-1-yl)ethanone
CID 107395939
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
2-[cyclopentyl-(4-methyl-3-oxo-1,4-diazepane-1-carbonyl)amino]acetic acid
CID 102891286
3-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 107393973
1-(3-methoxy-3-methylpiperidin-1-yl)-2-pyrrolidin-3-ylethanone
CID 107392439

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid (CID 107393934) is 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid is COC1(C)CCCN(C(=O)N(CC(=O)O)C2CCCC2)C1.
What is the InChIKey of 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid?
The InChIKey is ZKQGDHQTDHJUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(21-2)8-5-9-16(11-15)14(20)17(10-13(18)19)12-6-3-4-7-12/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid?
2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(3-methoxy-3-methylpiperidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107393934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).