(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

C9H13N3O3 — CID 106666945

IUPAC(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESNc1c[nH]c(C(=O)N2CC(O)C(O)C2)c1
InChIInChI=1S/C9H13N3O3/c10-5-1-6(11-2-5)9(15)12-3-7(13)8(14)4-12/h1-2,7-8,11,13-14H,3-4,10H2
InChIKeyUYUTZBFBKHJKNE-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.23
Rot. Bonds1

About (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone

(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (PubChem CID 106666945) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
PubChem CID106666945
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
SMILESNc1c[nH]c(C(=O)N2CC(O)C(O)C2)c1
InChIInChI=1S/C9H13N3O3/c10-5-1-6(11-2-5)9(15)12-3-7(13)8(14)4-12/h1-2,7-8,11,13-14H,3-4,10H2
InChIKeyUYUTZBFBKHJKNE-UHFFFAOYSA-N
XLogP-1.23
TPSA102.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
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1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
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(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone (CID 106666945) is (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is Nc1c[nH]c(C(=O)N2CC(O)C(O)C2)c1.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
The InChIKey is UYUTZBFBKHJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-5-1-6(11-2-5)9(15)12-3-7(13)8(14)4-12/h1-2,7-8,11,13-14H,3-4,10H2.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone?
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone has a molecular weight of 211.22 g/mol, XLogP of -1.23, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 106666945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).