(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid

C8H11N3O4 — CID 107833827

IUPAC(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCn1nccc1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C8H11N3O4/c1-11-5(2-3-10-11)7(13)9-4-6(12)8(14)15/h2-3,6,12H,4H2,1H3,(H,9,13)(H,14,15)/t6-/m0/s1
InChIKeyYBQRZIAURILDSI-LURJTMIESA-N
MW213.19 g/mol
LogP-1.40
Rot. Bonds4

About (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid (PubChem CID 107833827) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
PubChem CID107833827
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
SMILESCn1nccc1C(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C8H11N3O4/c1-11-5(2-3-10-11)7(13)9-4-6(12)8(14)15/h2-3,6,12H,4H2,1H3,(H,9,13)(H,14,15)/t6-/m0/s1
InChIKeyYBQRZIAURILDSI-LURJTMIESA-N
XLogP-1.40
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552
2-methyl-N-[2-methyl-3-(methylamino)propyl]pyrazole-3-carboxamide
CID 81478587
N-(3-ethyl-2-hydroxypentyl)-2-methylpyrazole-3-carboxamide
CID 103658436
N-[3-(dimethylamino)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 110281226
N-(2-benzylbutyl)-2-methylpyrazole-3-carboxamide
CID 131949973
(2S)-2-hydroxy-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 107833498
(2R)-2-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 78972778
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
(2S)-3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-2-hydroxypropanoic acid
CID 107833340
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-2-methylpyrazole-3-carboxamide
CID 111697762
(2S)-4-methyl-2-[[2-[(2-methylpyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694502
N-(3-chloropropyl)-2-methylpyrazole-3-carboxamide
CID 17167946

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid (CID 107833827) is (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid is Cn1nccc1C(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
The InChIKey is YBQRZIAURILDSI-LURJTMIESA-N. The full InChI is InChI=1S/C8H11N3O4/c1-11-5(2-3-10-11)7(13)9-4-6(12)8(14)15/h2-3,6,12H,4H2,1H3,(H,9,13)(H,14,15)/t6-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid has a molecular weight of 213.19 g/mol, XLogP of -1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107833827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).