benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate

C14H14N4O3 — CID 16579660

IUPACbenzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
SMILESNc1nccnc1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C14H14N4O3/c15-13-12(16-6-7-17-13)14(20)18-8-11(19)21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,15,17)(H,18,20)
InChIKeyFFCPETXFSWDYFZ-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.53
Rot. Bonds5

About benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate

benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate (PubChem CID 16579660) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
PubChem CID16579660
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Namebenzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate
SMILESNc1nccnc1C(=O)NCC(=O)OCc1ccccc1
InChIInChI=1S/C14H14N4O3/c15-13-12(16-6-7-17-13)14(20)18-8-11(19)21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,15,17)(H,18,20)
InChIKeyFFCPETXFSWDYFZ-UHFFFAOYSA-N
XLogP0.53
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-benzamidoacetate;ethane
CID 142836612
3-amino-N-(2-phenylmethoxy-3-pyridinyl)pyrazine-2-carboxamide
CID 136525909
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899424
benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 32677770
benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
CID 32982202
benzyl 2-[[4-(5-methylpyrazol-1-yl)benzoyl]amino]acetate
CID 29209753
benzyl 2-[(6-methoxypyridine-3-carbonyl)amino]acetate
CID 27020385
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
benzyl 2-[[(2R)-2-benzyl-3-sulfanylpropanoyl]amino]acetate
CID 56608471
benzyl 2-[(2-pyrazol-1-ylbenzoyl)amino]acetate
CID 87002296
ethyl (2S)-2-[[(3-aminopyrazine-2-carbonyl)amino]methyl]-3-phenylpropanoate
CID 94800392

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate (CID 16579660) is benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate is Nc1nccnc1C(=O)NCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate?
The InChIKey is FFCPETXFSWDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-13-12(16-6-7-17-13)14(20)18-8-11(19)21-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H2,15,17)(H,18,20).
What are the key properties of benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate?
benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate has a molecular weight of 286.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(3-aminopyrazine-2-carbonyl)amino]acetate is sourced from PubChem (CID 16579660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).