[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

C9H11N5O4 — CID 7469249

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESC[C@@H](OC(=O)c1nccnc1N)C(=O)NC(N)=O
InChIInChI=1S/C9H11N5O4/c1-4(7(15)14-9(11)17)18-8(16)5-6(10)13-3-2-12-5/h2-4H,1H3,(H2,10,13)(H3,11,14,15,17)/t4-/m1/s1
InChIKeyXJOWKPHKCRHEQE-SCSAIBSYSA-N
MW253.22 g/mol
LogP-1.20
Rot. Bonds3

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (PubChem CID 7469249) has the molecular formula C9H11N5O4 and a molecular weight of 253.22 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
PubChem CID7469249
Molecular FormulaC9H11N5O4
Molecular Weight253.22 g/mol
Exact Mass253.08
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
SMILESC[C@@H](OC(=O)c1nccnc1N)C(=O)NC(N)=O
InChIInChI=1S/C9H11N5O4/c1-4(7(15)14-9(11)17)18-8(16)5-6(10)13-3-2-12-5/h2-4H,1H3,(H2,10,13)(H3,11,14,15,17)/t4-/m1/s1
InChIKeyXJOWKPHKCRHEQE-SCSAIBSYSA-N
XLogP-1.20
TPSA150.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-amino-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41379743
[1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 46625048
[(2S)-1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 30257378
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 7633740
[1-[2-(difluoromethoxy)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 55424165
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 41104835
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-aminopyrazine-2-carboxylate
CID 22108606
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate
CID 2637976
[1-[4-chloro-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 42893106
[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate
CID 39965197
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-chlorobenzoate
CID 16540210
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7797960

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate (CID 7469249) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is C[C@@H](OC(=O)c1nccnc1N)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
The InChIKey is XJOWKPHKCRHEQE-SCSAIBSYSA-N. The full InChI is InChI=1S/C9H11N5O4/c1-4(7(15)14-9(11)17)18-8(16)5-6(10)13-3-2-12-5/h2-4H,1H3,(H2,10,13)(H3,11,14,15,17)/t4-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate has a molecular weight of 253.22 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-aminopyrazine-2-carboxylate is sourced from PubChem (CID 7469249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).