(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid

C13H15N3O3 — CID 122107924

IUPAC(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-8(13(18)19)14-12(17)7-10-9-5-3-4-6-11(9)16(2)15-10/h3-6,8H,7H2,1-2H3,(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyNFOIDOLFMOVLGH-MRVPVSSYSA-N
MW261.28 g/mol
LogP0.71
Rot. Bonds4

About (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid

(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid (PubChem CID 122107924) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
PubChem CID122107924
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)Cc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-8(13(18)19)14-12(17)7-10-9-5-3-4-6-11(9)16(2)15-10/h3-6,8H,7H2,1-2H3,(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyNFOIDOLFMOVLGH-MRVPVSSYSA-N
XLogP0.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid (CID 122107924) is (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid is C[C@@H](NC(=O)Cc1nn(C)c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid?
The InChIKey is NFOIDOLFMOVLGH-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8(13(18)19)14-12(17)7-10-9-5-3-4-6-11(9)16(2)15-10/h3-6,8H,7H2,1-2H3,(H,14,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid?
(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 122107924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).