1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid

C13H20N4O4 — CID 102643245

IUPAC1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H20N4O4/c1-8(12(18)14-9-5-3-4-6-9)17-10(7-21-2)11(13(19)20)15-16-17/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyQSEBIOBMVDSDSF-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.74
Rot. Bonds6

About 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid

1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid (PubChem CID 102643245) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid
PubChem CID102643245
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid
SMILESCOCc1c(C(=O)O)nnn1C(C)C(=O)NC1CCCC1
InChIInChI=1S/C13H20N4O4/c1-8(12(18)14-9-5-3-4-6-9)17-10(7-21-2)11(13(19)20)15-16-17/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20)
InChIKeyQSEBIOBMVDSDSF-UHFFFAOYSA-N
XLogP0.74
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid?
The IUPAC name of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid (CID 102643245) is 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid is COCc1c(C(=O)O)nnn1C(C)C(=O)NC1CCCC1.
What is the InChIKey of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid?
The InChIKey is QSEBIOBMVDSDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-8(12(18)14-9-5-3-4-6-9)17-10(7-21-2)11(13(19)20)15-16-17/h8-9H,3-7H2,1-2H3,(H,14,18)(H,19,20).
What are the key properties of 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid?
1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylamino)-1-oxopropan-2-yl]-5-(methoxymethyl)triazole-4-carboxylic acid is sourced from PubChem (CID 102643245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).