(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid

C10H15N3O4 — CID 80750940

IUPAC(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCn1nc(C)cc1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-13-8(4-6(2)12-13)9(15)11-7(5-14)10(16)17/h4,7,14H,3,5H2,1-2H3,(H,11,15)(H,16,17)/t7-/m1/s1
InChIKeyHOIMXFNNIITCCQ-SSDOTTSWSA-N
MW241.25 g/mol
LogP-0.61
Rot. Bonds5

About (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid

(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid (PubChem CID 80750940) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
PubChem CID80750940
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid
SMILESCCn1nc(C)cc1C(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H15N3O4/c1-3-13-8(4-6(2)12-13)9(15)11-7(5-14)10(16)17/h4,7,14H,3,5H2,1-2H3,(H,11,15)(H,16,17)/t7-/m1/s1
InChIKeyHOIMXFNNIITCCQ-SSDOTTSWSA-N
XLogP-0.61
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]pentanedioic acid
CID 66126115
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357745
2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077130
2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]-5-methylpyrazole-3-carboxamide
CID 103919961
3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 113415859
2-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]-5-methylpyrazole-3-carboxamide
CID 96539646
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
(2R)-2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823246
N-(1-aminobutan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66121273
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid (CID 80750940) is (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid is CCn1nc(C)cc1C(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid?
The InChIKey is HOIMXFNNIITCCQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-3-13-8(4-6(2)12-13)9(15)11-7(5-14)10(16)17/h4,7,14H,3,5H2,1-2H3,(H,11,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid?
(2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80750940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).