(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid

C11H12N4O4 — CID 107823505

IUPAC(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1cnn2ccncc12
InChIInChI=1S/C11H12N4O4/c16-4-1-8(11(18)19)14-10(17)7-5-13-15-3-2-12-6-9(7)15/h2-3,5-6,8,16H,1,4H2,(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyQHVDXBMZBCMTHJ-MRVPVSSYSA-N
MW264.24 g/mol
LogP-0.71
Rot. Bonds5

About (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid

(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid (PubChem CID 107823505) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
PubChem CID107823505
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
SMILESO=C(N[C@H](CCO)C(=O)O)c1cnn2ccncc12
InChIInChI=1S/C11H12N4O4/c16-4-1-8(11(18)19)14-10(17)7-5-13-15-3-2-12-6-9(7)15/h2-3,5-6,8,16H,1,4H2,(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyQHVDXBMZBCMTHJ-MRVPVSSYSA-N
XLogP-0.71
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-hydroxybutan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120076
N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751
ethyl 2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)propanoate
CID 103121176
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
(2S)-4-hydroxy-2-(pyrazine-2-carbonylamino)butanoic acid
CID 107822419
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758
(pyrazolo[1,5-a]pyrazine-3-carbonylamino)thiourea
CID 103123485
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794
N-[1-(2-aminophenyl)ethyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103116011
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103118121

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid (CID 107823505) is (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid is O=C(N[C@H](CCO)C(=O)O)c1cnn2ccncc12.
What is the InChIKey of (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid?
The InChIKey is QHVDXBMZBCMTHJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N4O4/c16-4-1-8(11(18)19)14-10(17)7-5-13-15-3-2-12-6-9(7)15/h2-3,5-6,8,16H,1,4H2,(H,14,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid?
(2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid has a molecular weight of 264.24 g/mol, XLogP of -0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid is sourced from PubChem (CID 107823505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).