3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide

C10H16N4O4 — CID 53424358

IUPAC3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1[nH]cc(C2NC(CO)C(O)C2O)c1N
InChIInChI=1S/C10H16N4O4/c11-5-3(1-13-7(5)10(12)18)6-9(17)8(16)4(2-15)14-6/h1,4,6,8-9,13-17H,2,11H2,(H2,12,18)
InChIKeyUUOZUUFHSJLJDX-UHFFFAOYSA-N
MW256.26 g/mol
LogP-2.58
Rot. Bonds3

About 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide

3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 53424358) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID53424358
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1[nH]cc(C2NC(CO)C(O)C2O)c1N
InChIInChI=1S/C10H16N4O4/c11-5-3(1-13-7(5)10(12)18)6-9(17)8(16)4(2-15)14-6/h1,4,6,8-9,13-17H,2,11H2,(H2,12,18)
InChIKeyUUOZUUFHSJLJDX-UHFFFAOYSA-N
XLogP-2.58
TPSA157.62 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.26
LogP ≤ 5-2.58
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide (CID 53424358) is 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide is NC(=O)c1[nH]cc(C2NC(CO)C(O)C2O)c1N.
What is the InChIKey of 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is UUOZUUFHSJLJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c11-5-3(1-13-7(5)10(12)18)6-9(17)8(16)4(2-15)14-6/h1,4,6,8-9,13-17H,2,11H2,(H2,12,18).
What are the key properties of 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide?
3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 256.26 g/mol, XLogP of -2.58, 3 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 53424358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).