(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid

C9H12N4O3 — CID 67328816

IUPAC(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
SMILESN[C@@H](CCNC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C9H12N4O3/c10-6(9(15)16)1-2-13-8(14)7-5-11-3-4-12-7/h3-6H,1-2,10H2,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyJKUKQHLMFBVSPV-LURJTMIESA-N
MW224.22 g/mol
LogP-0.99
Rot. Bonds5

About (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid

(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid (PubChem CID 67328816) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
PubChem CID67328816
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid
SMILESN[C@@H](CCNC(=O)c1cnccn1)C(=O)O
InChIInChI=1S/C9H12N4O3/c10-6(9(15)16)1-2-13-8(14)7-5-11-3-4-12-7/h3-6H,1-2,10H2,(H,13,14)(H,15,16)/t6-/m0/s1
InChIKeyJKUKQHLMFBVSPV-LURJTMIESA-N
XLogP-0.99
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
2-amino-4-(quinoxaline-2-carbonylamino)butanoic acid
CID 67154830
2-(tert-butylamino)-5-(pyrazine-2-carbonylamino)pentanoic acid
CID 163868392
N-(5-hydroxypentyl)pyrazine-2-carboxamide
CID 108796814
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
N-(2-amino-2-oxoethyl)pyrazine-2-carboxamide
CID 14101204
methyl N-[2-(pyrazine-2-carbonylamino)ethyl]carbamate
CID 108574667
2-amino-4-(1,3-thiazole-2-carbonylamino)butanoic acid
CID 67154487
2-[[2-(pyrazine-2-carbonylamino)acetyl]amino]propanoic acid
CID 14101217
N-(4-hydroxy-2-methylbutyl)pyrazine-2-carboxamide
CID 66106195
N-pent-4-ynylpyrazine-2-carboxamide
CID 103709111

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid (CID 67328816) is (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid is N[C@@H](CCNC(=O)c1cnccn1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid?
The InChIKey is JKUKQHLMFBVSPV-LURJTMIESA-N. The full InChI is InChI=1S/C9H12N4O3/c10-6(9(15)16)1-2-13-8(14)7-5-11-3-4-12-7/h3-6H,1-2,10H2,(H,13,14)(H,15,16)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid?
(2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(pyrazine-2-carbonylamino)butanoic acid is sourced from PubChem (CID 67328816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).