2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide

C10H14N4O3 — CID 79410787

IUPAC2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESO=C(CN1C[C@@H](O)[C@@H](O)C1)Nc1ncccn1
InChIInChI=1S/C10H14N4O3/c15-7-4-14(5-8(7)16)6-9(17)13-10-11-2-1-3-12-10/h1-3,7-8,15-16H,4-6H2,(H,11,12,13,17)/t7-,8+
InChIKeyWVPZXPHNAMPVAD-OCAPTIKFSA-N
MW238.25 g/mol
LogP-1.55
Rot. Bonds3

About 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide

2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide (PubChem CID 79410787) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide.

Molecular Properties

Compound Name2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide
PubChem CID79410787
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide
SMILESO=C(CN1C[C@@H](O)[C@@H](O)C1)Nc1ncccn1
InChIInChI=1S/C10H14N4O3/c15-7-4-14(5-8(7)16)6-9(17)13-10-11-2-1-3-12-10/h1-3,7-8,15-16H,4-6H2,(H,11,12,13,17)/t7-,8+
InChIKeyWVPZXPHNAMPVAD-OCAPTIKFSA-N
XLogP-1.55
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
CID 63720370
2-(3-methylpiperazin-1-yl)-N-pyrimidin-2-ylacetamide
CID 65450346
methyl (3S)-1-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]piperidine-3-carboxylate
CID 115537541
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N'-pyridin-2-ylacetohydrazide
CID 79410241
N-pyrimidin-2-yl-2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 60978048
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
2-(4-hydroxy-4-methylazepan-1-yl)-N-pyrimidin-2-ylacetamide
CID 107408147
N-(2-bromophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673025
N-(4-amino-2,6-dichlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106668030
2-(3,4-dihydroxypyrrolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 106672965
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
2-(1,1-dioxothiazinan-2-yl)-N-pyrimidin-2-ylacetamide
CID 110687779

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide?
The IUPAC name of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide (CID 79410787) is 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide.
What is the SMILES notation for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide?
The canonical SMILES for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide is O=C(CN1C[C@@H](O)[C@@H](O)C1)Nc1ncccn1.
What is the InChIKey of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide?
The InChIKey is WVPZXPHNAMPVAD-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-7-4-14(5-8(7)16)6-9(17)13-10-11-2-1-3-12-10/h1-3,7-8,15-16H,4-6H2,(H,11,12,13,17)/t7-,8+.
What are the key properties of 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide?
2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide has a molecular weight of 238.25 g/mol, XLogP of -1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-pyrimidin-2-ylacetamide is sourced from PubChem (CID 79410787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).