1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid

C12H16N4O3 — CID 115451594

IUPAC1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cnc(CNC(=O)NCC2(C(=O)O)CC2)cn1
InChIInChI=1S/C12H16N4O3/c1-8-4-14-9(5-13-8)6-15-11(19)16-7-12(2-3-12)10(17)18/h4-5H,2-3,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyDFHMKQMJHXISEH-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.45
Rot. Bonds5

About 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid

1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451594) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451594
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1cnc(CNC(=O)NCC2(C(=O)O)CC2)cn1
InChIInChI=1S/C12H16N4O3/c1-8-4-14-9(5-13-8)6-15-11(19)16-7-12(2-3-12)10(17)18/h4-5H,2-3,6-7H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyDFHMKQMJHXISEH-UHFFFAOYSA-N
XLogP0.45
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 65221570
(5-methylpyrazin-2-yl)methylurea
CID 62845946
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
1-[(5-methylpyrazin-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 114997429
1-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]cycloheptane-1-carboxamide
CID 62845577
1-[(pyridazin-3-ylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 106897054
1-[[(4,5-dimethylthiophen-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312589
1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436856
1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436821
(2S,3S)-3-methyl-2-[(5-methylpyrazin-2-yl)methylcarbamoylamino]pentanoic acid
CID 62840347
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 106038526

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid (CID 115451594) is 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid is Cc1cnc(CNC(=O)NCC2(C(=O)O)CC2)cn1.
What is the InChIKey of 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is DFHMKQMJHXISEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8-4-14-9(5-13-8)6-15-11(19)16-7-12(2-3-12)10(17)18/h4-5H,2-3,6-7H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).