2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid

C16H15N3O4 — CID 166379250

IUPAC2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid
SMILESCCc1c[nH]c2ncc(-c3ccc(C(=O)NCC(=O)O)o3)cc12
InChIInChI=1S/C16H15N3O4/c1-2-9-6-17-15-11(9)5-10(7-18-15)12-3-4-13(23-12)16(22)19-8-14(20)21/h3-7H,2,8H2,1H3,(H,17,18)(H,19,22)(H,20,21)
InChIKeyICSCNHBVKGQVPP-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.20
Rot. Bonds5

About 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid

2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid (PubChem CID 166379250) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid
PubChem CID166379250
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid
SMILESCCc1c[nH]c2ncc(-c3ccc(C(=O)NCC(=O)O)o3)cc12
InChIInChI=1S/C16H15N3O4/c1-2-9-6-17-15-11(9)5-10(7-18-15)12-3-4-13(23-12)16(22)19-8-14(20)21/h3-7H,2,8H2,1H3,(H,17,18)(H,19,22)(H,20,21)
InChIKeyICSCNHBVKGQVPP-UHFFFAOYSA-N
XLogP2.20
TPSA108.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
2-[[5-(3,4-dimethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124001
2-[[5-(3-chloro-5-fluorophenyl)furan-2-carbonyl]amino]acetic acid
CID 176914450
[2-dimethylphosphoryl-4-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanol
CID 155462244
3-ethyl-5-(7-methoxy-1H-indazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 166398526
2-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 134806025
5-(4-ethylphenyl)-N-[2-(methylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119502712
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
5-(4-ethylphenyl)-N-[3-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 119432467
2-ethyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid
CID 45271705
2-[5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
CID 134806364

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid (CID 166379250) is 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid is CCc1c[nH]c2ncc(-c3ccc(C(=O)NCC(=O)O)o3)cc12.
What is the InChIKey of 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid?
The InChIKey is ICSCNHBVKGQVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-2-9-6-17-15-11(9)5-10(7-18-15)12-3-4-13(23-12)16(22)19-8-14(20)21/h3-7H,2,8H2,1H3,(H,17,18)(H,19,22)(H,20,21).
What are the key properties of 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid?
2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid has a molecular weight of 313.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)furan-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 166379250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).