1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid

C16H26N2O5 — CID 122508236

IUPAC1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)CN(CC(=O)N1CCC(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C16H26N2O5/c19-14(17-8-6-12(7-9-17)16(22)23)10-18(11-15(20)21)13-4-2-1-3-5-13/h12-13H,1-11H2,(H,20,21)(H,22,23)
InChIKeyQYUPHJXBNGSULN-UHFFFAOYSA-N
MW326.39 g/mol
LogP1.03
Rot. Bonds6

About 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 122508236) has the molecular formula C16H26N2O5 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID122508236
Molecular FormulaC16H26N2O5
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESO=C(O)CN(CC(=O)N1CCC(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C16H26N2O5/c19-14(17-8-6-12(7-9-17)16(22)23)10-18(11-15(20)21)13-4-2-1-3-5-13/h12-13H,1-11H2,(H,20,21)(H,22,23)
InChIKeyQYUPHJXBNGSULN-UHFFFAOYSA-N
XLogP1.03
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-(2-oxo-2-piperidin-1-ylethyl)amino]acetic acid
CID 54945212
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
2-[3-aminopropyl(cyclopentyl)amino]-1-piperidin-1-ylethanone
CID 43319620
2-[cyclopropyl-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]amino]acetic acid
CID 54945218
1-[2-[bicyclo[4.1.0]heptane-7-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236385
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
CID 71858831
2-[[2-[carboxymethyl-[2-[4-(2,3-dihydroxypropylcarbamoyl)piperidin-1-yl]-2-oxoethyl]amino]cyclohexyl]-[2-[4-(2,3-dihydroxypropylcarbamoyl)piperidin-1-yl]-2-oxoethyl]amino]acetic acid
CID 122522433
1-[2-[[(2S)-3-cyclohexyl-2-methylpropanoyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 97324533

Frequently Asked Questions

What is the IUPAC name of 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid (CID 122508236) is 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid is O=C(O)CN(CC(=O)N1CCC(C(=O)O)CC1)C1CCCCC1.
What is the InChIKey of 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is QYUPHJXBNGSULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5/c19-14(17-8-6-12(7-9-17)16(22)23)10-18(11-15(20)21)13-4-2-1-3-5-13/h12-13H,1-11H2,(H,20,21)(H,22,23).
What are the key properties of 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 326.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[carboxymethyl(cyclohexyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122508236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).