3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid

C12H13N3O5 — CID 43357614

IUPAC3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H13N3O5/c16-7-9(12(18)19)14-11(17)10-3-2-8(20-10)6-15-5-1-4-13-15/h1-5,9,16H,6-7H2,(H,14,17)(H,18,19)
InChIKeyPDYVFKZUIGIASM-UHFFFAOYSA-N
MW279.25 g/mol
LogP-0.30
Rot. Bonds6

About 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid

3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid (PubChem CID 43357614) has the molecular formula C12H13N3O5 and a molecular weight of 279.25 g/mol. Its IUPAC name is 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
PubChem CID43357614
Molecular FormulaC12H13N3O5
Molecular Weight279.25 g/mol
Exact Mass279.09
IUPAC Name3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
SMILESO=C(NC(CO)C(=O)O)c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H13N3O5/c16-7-9(12(18)19)14-11(17)10-3-2-8(20-10)6-15-5-1-4-13-15/h1-5,9,16H,6-7H2,(H,14,17)(H,18,19)
InChIKeyPDYVFKZUIGIASM-UHFFFAOYSA-N
XLogP-0.30
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95593404
N-(3-amino-2-hydroxy-3-oxopropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 106166308
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N-(2-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 115700989
N-(2,3-dihydroxy-2-methylpropyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 66170524
N-(4-hydroxypentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 107300126
N-[3-(dimethylamino)-1-(4-fluorophenyl)propyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 110281615
N-(1-phenylcyclopentyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 95379084

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid (CID 43357614) is 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid is O=C(NC(CO)C(=O)O)c1ccc(Cn2cccn2)o1.
What is the InChIKey of 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid?
The InChIKey is PDYVFKZUIGIASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O5/c16-7-9(12(18)19)14-11(17)10-3-2-8(20-10)6-15-5-1-4-13-15/h1-5,9,16H,6-7H2,(H,14,17)(H,18,19).
What are the key properties of 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid?
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid has a molecular weight of 279.25 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 43357614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).