3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid

C10H13N3O4 — CID 43357657

IUPAC3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid
SMILESCn1nccc1/C=C/C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-13-7(4-5-11-13)2-3-9(15)12-8(6-14)10(16)17/h2-5,8,14H,6H2,1H3,(H,12,15)(H,16,17)/b3-2+
InChIKeyQEHAKZHYJFBJHA-NSCUHMNNSA-N
MW239.23 g/mol
LogP-1.00
Rot. Bonds5

About 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid

3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid (PubChem CID 43357657) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid
PubChem CID43357657
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid
SMILESCn1nccc1/C=C/C(=O)NC(CO)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-13-7(4-5-11-13)2-3-9(15)12-8(6-14)10(16)17/h2-5,8,14H,6H2,1H3,(H,12,15)(H,16,17)/b3-2+
InChIKeyQEHAKZHYJFBJHA-NSCUHMNNSA-N
XLogP-1.00
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid (CID 43357657) is 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid is Cn1nccc1/C=C/C(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid?
The InChIKey is QEHAKZHYJFBJHA-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-13-7(4-5-11-13)2-3-9(15)12-8(6-14)10(16)17/h2-5,8,14H,6H2,1H3,(H,12,15)(H,16,17)/b3-2+.
What are the key properties of 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid?
3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]propanoic acid is sourced from PubChem (CID 43357657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).