5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid

C16H21N5O6 — CID 120820468

IUPAC5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCCNC(=O)N1CCC(N(CC(=O)O)C(=O)c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H21N5O6/c1-2-17-16(27)20-5-3-10(4-6-20)21(9-13(22)23)14(24)11-7-19-12(8-18-11)15(25)26/h7-8,10H,2-6,9H2,1H3,(H,17,27)(H,22,23)(H,25,26)
InChIKeyWZLNUGLKZSFQAX-UHFFFAOYSA-N
MW379.37 g/mol
LogP-0.10
Rot. Bonds6

About 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid

5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120820468) has the molecular formula C16H21N5O6 and a molecular weight of 379.37 g/mol. Its IUPAC name is 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120820468
Molecular FormulaC16H21N5O6
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC Name5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid
SMILESCCNC(=O)N1CCC(N(CC(=O)O)C(=O)c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C16H21N5O6/c1-2-17-16(27)20-5-3-10(4-6-20)21(9-13(22)23)14(24)11-7-19-12(8-18-11)15(25)26/h7-8,10H,2-6,9H2,1H3,(H,17,27)(H,22,23)(H,25,26)
InChIKeyWZLNUGLKZSFQAX-UHFFFAOYSA-N
XLogP-0.10
TPSA153.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid (CID 120820468) is 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid is CCNC(=O)N1CCC(N(CC(=O)O)C(=O)c2cnc(C(=O)O)cn2)CC1.
What is the InChIKey of 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is WZLNUGLKZSFQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O6/c1-2-17-16(27)20-5-3-10(4-6-20)21(9-13(22)23)14(24)11-7-19-12(8-18-11)15(25)26/h7-8,10H,2-6,9H2,1H3,(H,17,27)(H,22,23)(H,25,26).
What are the key properties of 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid?
5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 379.37 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[carboxymethyl-[1-(ethylcarbamoyl)piperidin-4-yl]carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120820468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).