5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid

C8H10N2O5 — CID 106177280

IUPAC5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid
SMILESNC(=O)C(O)CNc1ccc(C(=O)O)o1
InChIInChI=1S/C8H10N2O5/c9-7(12)4(11)3-10-6-2-1-5(15-6)8(13)14/h1-2,4,10-11H,3H2,(H2,9,12)(H,13,14)
InChIKeyUZFQGMMRNVHSPL-UHFFFAOYSA-N
MW214.18 g/mol
LogP-0.76
Rot. Bonds5

About 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid

5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid (PubChem CID 106177280) has the molecular formula C8H10N2O5 and a molecular weight of 214.18 g/mol. Its IUPAC name is 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid
PubChem CID106177280
Molecular FormulaC8H10N2O5
Molecular Weight214.18 g/mol
Exact Mass214.06
IUPAC Name5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid
SMILESNC(=O)C(O)CNc1ccc(C(=O)O)o1
InChIInChI=1S/C8H10N2O5/c9-7(12)4(11)3-10-6-2-1-5(15-6)8(13)14/h1-2,4,10-11H,3H2,(H2,9,12)(H,13,14)
InChIKeyUZFQGMMRNVHSPL-UHFFFAOYSA-N
XLogP-0.76
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-hydroxybutan-2-ylamino)furan-2-carboxylic acid
CID 83176620
5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid
CID 63228123
5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid
CID 62204256
5-[(2-methyl-1-phenylpropan-2-yl)amino]furan-2-carboxylic acid
CID 113360552
5-(3-amino-1,2-dihydroxy-3-oxopropyl)furan-2-carboxylic acid
CID 171867797
5-[(3,4-difluorophenyl)methylamino]furan-2-carboxylic acid
CID 62206208
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid
CID 81177327
5-(6-methylheptan-2-ylamino)furan-2-carboxylic acid
CID 62205856
5-(4-methylpentan-2-ylamino)furan-2-carboxylic acid
CID 62204950
N-(3-amino-2-hydroxy-3-oxopropyl)-5-ethylfuran-2-carboxamide
CID 106166165

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid (CID 106177280) is 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid is NC(=O)C(O)CNc1ccc(C(=O)O)o1.
What is the InChIKey of 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid?
The InChIKey is UZFQGMMRNVHSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O5/c9-7(12)4(11)3-10-6-2-1-5(15-6)8(13)14/h1-2,4,10-11H,3H2,(H2,9,12)(H,13,14).
What are the key properties of 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid?
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of -0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 106177280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).