2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid

C14H23N3O4 — CID 119136399

IUPAC2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H23N3O4/c1-15(10-12(18)19)13(20)11-4-8-17(9-5-11)14(21)16-6-2-3-7-16/h11H,2-10H2,1H3,(H,18,19)
InChIKeyNYVBPWSNIMRKJU-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.46
Rot. Bonds3

About 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid

2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid (PubChem CID 119136399) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
PubChem CID119136399
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C14H23N3O4/c1-15(10-12(18)19)13(20)11-4-8-17(9-5-11)14(21)16-6-2-3-7-16/h11H,2-10H2,1H3,(H,18,19)
InChIKeyNYVBPWSNIMRKJU-UHFFFAOYSA-N
XLogP0.46
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N,1-Dimethylpiperidine-4-carboxamido)acetic acid
CID 20719689
1-(3-Methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 61224670
1-(3-Hydroxy-3-methylpyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 103357299
2-[Ethyl-(1-methylpiperidine-4-carbonyl)amino]acetic acid
CID 140430463
Methane;2-[4-[methyl(propyl)carbamoyl]piperidin-1-yl]acetic acid
CID 142231672
2-[(4-Carbamoylpiperidine-1-carbonyl)amino]acetic acid
CID 28507747
1-[2-(3-Methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 43091337
2-[(4-Carbamoylpiperidine-1-carbonyl)-methylamino]acetic acid
CID 43135661
2-[Methyl-(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 43135670
1-[(2-Methoxy-2-oxoethyl)-methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318317
2-[(4-Methoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid
CID 43318326
2-[(4-Ethoxycarbonylpiperidine-1-carbonyl)-methylamino]acetic acid
CID 43318583

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid (CID 119136399) is 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid is CN(CC(=O)O)C(=O)C1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid?
The InChIKey is NYVBPWSNIMRKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-15(10-12(18)19)13(20)11-4-8-17(9-5-11)14(21)16-6-2-3-7-16/h11H,2-10H2,1H3,(H,18,19).
What are the key properties of 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid?
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 119136399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).