1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid

C14H26N2O4 — CID 103253640

IUPAC1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid
SMILESCCCC(COC)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-4-12(10-20-2)15-9-13(17)16-7-5-11(6-8-16)14(18)19/h11-12,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyYBCXVOMHEOEQHJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.71
Rot. Bonds8

About 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid

1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid (PubChem CID 103253640) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid
PubChem CID103253640
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid
SMILESCCCC(COC)NCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-3-4-12(10-20-2)15-9-13(17)16-7-5-11(6-8-16)14(18)19/h11-12,15H,3-10H2,1-2H3,(H,18,19)
InChIKeyYBCXVOMHEOEQHJ-UHFFFAOYSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 106159700
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-(1-methoxyhexan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 122002874
1-[2-(3-methoxypropylamino)acetyl]piperidine-4-carboxylic acid
CID 103237166
1-[2-[(2-methoxy-2-oxoethyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103231226
2-[(4-hydroxy-1-methoxybutan-2-yl)amino]-1-morpholin-4-ylethanone
CID 106159597
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(1-methoxypropan-2-ylamino)ethanone
CID 126807670
1-[2-[(2-ethyl-4-hydroxybutyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103259024
3-methoxy-2-[(2-oxo-2-piperidin-1-ylethyl)amino]propanoic acid
CID 103262728

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid (CID 103253640) is 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid is CCCC(COC)NCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid?
The InChIKey is YBCXVOMHEOEQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-4-12(10-20-2)15-9-13(17)16-7-5-11(6-8-16)14(18)19/h11-12,15H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid?
1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxypentan-2-ylamino)acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 103253640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).