3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid

C15H19N3O3 — CID 119207647

IUPAC3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C15H19N3O3/c1-10(2)18(8-7-15(20)21)14(19)9-13-11-5-3-4-6-12(11)16-17-13/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyBJEHFMALJUTMJX-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.82
Rot. Bonds6

About 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid

3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid (PubChem CID 119207647) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid
PubChem CID119207647
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Cc1[nH]nc2ccccc12
InChIInChI=1S/C15H19N3O3/c1-10(2)18(8-7-15(20)21)14(19)9-13-11-5-3-4-6-12(11)16-17-13/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyBJEHFMALJUTMJX-UHFFFAOYSA-N
XLogP1.82
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[2-(2H-indazol-3-yl)acetyl]amino]propanoic acid
CID 119191644
3-[[2-(2H-indazol-3-yl)acetyl]amino]butanoic acid
CID 119221464
2-[[2-(2H-indazol-3-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119200733
3-[propan-2-yl-[2-(1H-pyrazol-5-yl)acetyl]amino]propanoic acid
CID 79139899
ethyl 2-(2H-indazol-3-yl)acetate;2-(2H-indazol-3-yl)acetic acid
CID 158451727
3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]-propan-2-ylamino]propanoic acid
CID 119207580
3-[4-phenylbutanoyl(propan-2-yl)amino]propanoic acid
CID 60830563
ethyl 4-(2H-indazol-3-yl)-3-oxobutanoate
CID 147446393
(2S)-2-[[2-[[2-(2H-indazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695229
(2R)-2-[[2-(2H-indazol-3-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 121494637
2-[(3,5-dimethoxyphenyl)methyl-[2-(2H-indazol-3-yl)acetyl]amino]acetic acid
CID 119197747
N-(2-aminoethyl)-2-(2H-indazol-3-yl)acetamide;hydrochloride
CID 119384110

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid (CID 119207647) is 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)Cc1[nH]nc2ccccc12.
What is the InChIKey of 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid?
The InChIKey is BJEHFMALJUTMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)18(8-7-15(20)21)14(19)9-13-11-5-3-4-6-12(11)16-17-13/h3-6,10H,7-9H2,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid?
3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2H-indazol-3-yl)acetyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119207647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).