3-(1H-indazole-5-carbonylamino)propanoic acid

C11H11N3O3 — CID 43354730

IUPAC3-(1H-indazole-5-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C11H11N3O3/c15-10(16)3-4-12-11(17)7-1-2-9-8(5-7)6-13-14-9/h1-2,5-6H,3-4H2,(H,12,17)(H,13,14)(H,15,16)
InChIKeyMBXQQESBOYVCSU-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.77
Rot. Bonds4

About 3-(1H-indazole-5-carbonylamino)propanoic acid

3-(1H-indazole-5-carbonylamino)propanoic acid (PubChem CID 43354730) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-(1H-indazole-5-carbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-indazole-5-carbonylamino)propanoic acid
PubChem CID43354730
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-(1H-indazole-5-carbonylamino)propanoic acid
SMILESO=C(O)CCNC(=O)c1ccc2[nH]ncc2c1
InChIInChI=1S/C11H11N3O3/c15-10(16)3-4-12-11(17)7-1-2-9-8(5-7)6-13-14-9/h1-2,5-6H,3-4H2,(H,12,17)(H,13,14)(H,15,16)
InChIKeyMBXQQESBOYVCSU-UHFFFAOYSA-N
XLogP0.77
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenylethyl)-1H-indazole-5-carboxamide
CID 22933558
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
N-(2-piperidin-4-ylethyl)-1H-indazole-5-carboxamide
CID 22934092
N-(3-propan-2-yloxypropyl)-1H-indazole-5-carboxamide
CID 110485437
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-indazole-5-carboxamide
CID 64518388
N-methyl-1H-indazole-5-carboxamide
CID 22934041
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
N-(3-hydroxy-4-methoxybutyl)-1H-indazole-5-carboxamide
CID 103876908
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
N-tert-butyl-1H-indazole-5-carboxamide
CID 22933425
N-cyano-1H-indazole-5-carboxamide
CID 79195271
4-(1H-indazole-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 60810348

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indazole-5-carbonylamino)propanoic acid?
The IUPAC name of 3-(1H-indazole-5-carbonylamino)propanoic acid (CID 43354730) is 3-(1H-indazole-5-carbonylamino)propanoic acid.
What is the SMILES notation for 3-(1H-indazole-5-carbonylamino)propanoic acid?
The canonical SMILES for 3-(1H-indazole-5-carbonylamino)propanoic acid is O=C(O)CCNC(=O)c1ccc2[nH]ncc2c1.
What is the InChIKey of 3-(1H-indazole-5-carbonylamino)propanoic acid?
The InChIKey is MBXQQESBOYVCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-10(16)3-4-12-11(17)7-1-2-9-8(5-7)6-13-14-9/h1-2,5-6H,3-4H2,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 3-(1H-indazole-5-carbonylamino)propanoic acid?
3-(1H-indazole-5-carbonylamino)propanoic acid has a molecular weight of 233.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indazole-5-carbonylamino)propanoic acid is sourced from PubChem (CID 43354730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).