(2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid

C12H15N5O3 — CID 28789202

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
SMILESO=C(CCn1cccn1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C12H15N5O3/c18-11(2-5-17-4-1-3-15-17)16-10(12(19)20)6-9-7-13-8-14-9/h1,3-4,7-8,10H,2,5-6H2,(H,13,14)(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyCSDFCCQHUDITBR-SNVBAGLBSA-N
MW277.28 g/mol
LogP-0.19
Rot. Bonds7

About (2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid (PubChem CID 28789202) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
PubChem CID28789202
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid
SMILESO=C(CCn1cccn1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C12H15N5O3/c18-11(2-5-17-4-1-3-15-17)16-10(12(19)20)6-9-7-13-8-14-9/h1,3-4,7-8,10H,2,5-6H2,(H,13,14)(H,16,18)(H,19,20)/t10-/m1/s1
InChIKeyCSDFCCQHUDITBR-SNVBAGLBSA-N
XLogP-0.19
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.19
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-(3-pyrazol-1-ylpropanoylamino)propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid (CID 28789202) is (2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid is O=C(CCn1cccn1)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid?
The InChIKey is CSDFCCQHUDITBR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N5O3/c18-11(2-5-17-4-1-3-15-17)16-10(12(19)20)6-9-7-13-8-14-9/h1,3-4,7-8,10H,2,5-6H2,(H,13,14)(H,16,18)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-(3-pyrazol-1-ylpropanoylamino)propanoic acid has a molecular weight of 277.28 g/mol, XLogP of -0.19, 7 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-(3-pyrazol-1-ylpropanoylamino)propanoic acid is sourced from PubChem (CID 28789202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).