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

C12H15N3O2 — CID 83195291

IUPAC(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
SMILESC[C@@H](NCc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C12H15N3O2/c1-8(12(16)17)13-7-10-9-5-3-4-6-11(9)15(2)14-10/h3-6,8,13H,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyPKSPCIGVUXCORM-MRVPVSSYSA-N
MW233.27 g/mol
LogP1.14
Rot. Bonds4

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

(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid (PubChem CID 83195291) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
PubChem CID83195291
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
SMILESC[C@@H](NCc1nn(C)c2ccccc12)C(=O)O
InChIInChI=1S/C12H15N3O2/c1-8(12(16)17)13-7-10-9-5-3-4-6-11(9)15(2)14-10/h3-6,8,13H,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeyPKSPCIGVUXCORM-MRVPVSSYSA-N
XLogP1.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107924
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
(1S)-N-[(1-methylindazol-3-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 81349025
3-methyl-2-[[2-(1-methylindazol-3-yl)acetyl]amino]butanoic acid
CID 122107082
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
[1-[[(1-methylindazol-3-yl)methylamino]methyl]cyclopropyl]methanol
CID 79479073
(1R)-1-(2-bromophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81378061
N-methyl-1-(1-methylindazol-3-yl)methanamine;hydrochloride
CID 131083250
3,3-dimethyl-2-[(1-methylindazol-3-yl)methyl]butanoic acid
CID 83137512
2-[methyl-[2-(1-methylindazol-3-yl)acetyl]amino]propanoic acid
CID 122107519

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid?
The IUPAC name of (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid (CID 83195291) is (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid is C[C@@H](NCc1nn(C)c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid?
The InChIKey is PKSPCIGVUXCORM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(12(16)17)13-7-10-9-5-3-4-6-11(9)15(2)14-10/h3-6,8,13H,7H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid?
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid is sourced from PubChem (CID 83195291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).