(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid

C11H13N5O3 — CID 28789218

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
SMILESO=C(Cn1cccn1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H13N5O3/c17-10(6-16-3-1-2-14-16)15-9(11(18)19)4-8-5-12-7-13-8/h1-3,5,7,9H,4,6H2,(H,12,13)(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyRTGAHVFNAWGUJT-SECBINFHSA-N
MW263.26 g/mol
LogP-0.58
Rot. Bonds6

About (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid (PubChem CID 28789218) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
PubChem CID28789218
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
SMILESO=C(Cn1cccn1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H13N5O3/c17-10(6-16-3-1-2-14-16)15-9(11(18)19)4-8-5-12-7-13-8/h1-3,5,7,9H,4,6H2,(H,12,13)(H,15,17)(H,18,19)/t9-/m1/s1
InChIKeyRTGAHVFNAWGUJT-SECBINFHSA-N
XLogP-0.58
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid (CID 28789218) is (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid is O=C(Cn1cccn1)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
The InChIKey is RTGAHVFNAWGUJT-SECBINFHSA-N. The full InChI is InChI=1S/C11H13N5O3/c17-10(6-16-3-1-2-14-16)15-9(11(18)19)4-8-5-12-7-13-8/h1-3,5,7,9H,4,6H2,(H,12,13)(H,15,17)(H,18,19)/t9-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid has a molecular weight of 263.26 g/mol, XLogP of -0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 28789218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).