2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid

C13H20N4O3 — CID 65221570

IUPAC2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCc1cnc(C)cn1)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-3-4-10(12(18)19)6-16-13(20)17-8-11-7-14-9(2)5-15-11/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyDSLCXPOKTRERIQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.09
Rot. Bonds7

About 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid

2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid (PubChem CID 65221570) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
PubChem CID65221570
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)NCc1cnc(C)cn1)C(=O)O
InChIInChI=1S/C13H20N4O3/c1-3-4-10(12(18)19)6-16-13(20)17-8-11-7-14-9(2)5-15-11/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyDSLCXPOKTRERIQ-UHFFFAOYSA-N
XLogP1.09
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451594
(2S,3S)-3-methyl-2-[(5-methylpyrazin-2-yl)methylcarbamoylamino]pentanoic acid
CID 62840347
2-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 106382868
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
2-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]pentanoic acid
CID 115991254
2-[(2H-tetrazol-5-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65222804
(5-methylpyrazin-2-yl)methylurea
CID 62845946
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625
ethyl N-[(5-methylpyrazin-2-yl)methyl]carbamate
CID 64592018
2-[(2-aminoethylcarbamoylamino)methyl]pentanoic acid
CID 65223138
1-(3-methyl-1,2-oxazol-5-yl)-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 167862543
2-[[(1-methylpyrazol-4-yl)methylcarbamoylamino]methyl]butanoic acid
CID 65221879

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid?
The IUPAC name of 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid (CID 65221570) is 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid is CCCC(CNC(=O)NCc1cnc(C)cn1)C(=O)O.
What is the InChIKey of 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid?
The InChIKey is DSLCXPOKTRERIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-4-10(12(18)19)6-16-13(20)17-8-11-7-14-9(2)5-15-11/h5,7,10H,3-4,6,8H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid?
2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid has a molecular weight of 280.33 g/mol, XLogP of 1.09, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 65221570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).