2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid

C14H17N3O3 — CID 103116595

IUPAC2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-3-8-17(9-12(18)19)14(20)13-10-6-4-5-7-11(10)16(2)15-13/h4-7H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyGCMOJHJQSSBWBG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.51
Rot. Bonds5

About 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid

2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid (PubChem CID 103116595) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
PubChem CID103116595
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1nn(C)c2ccccc12
InChIInChI=1S/C14H17N3O3/c1-3-8-17(9-12(18)19)14(20)13-10-6-4-5-7-11(10)16(2)15-13/h4-7H,3,8-9H2,1-2H3,(H,18,19)
InChIKeyGCMOJHJQSSBWBG-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-methylindazole-3-carboxamide
CID 103120277
N,1-dimethyl-N-phenylindazole-3-carboxamide
CID 110856917
N-benzyl-N,1-dimethylindazole-3-carboxamide
CID 110851100
N-(2-bromoethyl)-N-(2-methoxyethyl)-1-methylindazole-3-carboxamide
CID 103122845
N-(2-bromoethyl)-N-(2,2-difluoroethyl)-1-methylindazole-3-carboxamide
CID 107491860
2-[benzoyl(propyl)amino]acetic acid
CID 61011930
N,1-dimethyl-N-[2-(methylamino)ethyl]indazole-3-carboxamide
CID 103117269
2-[[2-(1-methylindazol-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 122107320
2-[(2-methylpyrazole-3-carbonyl)-propylamino]acetic acid
CID 61006717
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid?
The IUPAC name of 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid (CID 103116595) is 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1nn(C)c2ccccc12.
What is the InChIKey of 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid?
The InChIKey is GCMOJHJQSSBWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-8-17(9-12(18)19)14(20)13-10-6-4-5-7-11(10)16(2)15-13/h4-7H,3,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid?
2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindazole-3-carbonyl)-propylamino]acetic acid is sourced from PubChem (CID 103116595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).