methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate

C13H18N4O4 — CID 43623563

IUPACmethyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C13H18N4O4/c1-21-12(20)9(8-18)16-11(19)10-4-2-7-17(10)13-14-5-3-6-15-13/h3,5-6,9-10,18H,2,4,7-8H2,1H3,(H,16,19)
InChIKeyUFLHUQHTLGHDOB-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.90
Rot. Bonds5

About methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate

methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate (PubChem CID 43623563) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
PubChem CID43623563
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Namemethyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C13H18N4O4/c1-21-12(20)9(8-18)16-11(19)10-4-2-7-17(10)13-14-5-3-6-15-13/h3,5-6,9-10,18H,2,4,7-8H2,1H3,(H,16,19)
InChIKeyUFLHUQHTLGHDOB-UHFFFAOYSA-N
XLogP-0.90
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate (CID 43623563) is methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate is COC(=O)C(CO)NC(=O)C1CCCN1c1ncccn1.
What is the InChIKey of methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate?
The InChIKey is UFLHUQHTLGHDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c1-21-12(20)9(8-18)16-11(19)10-4-2-7-17(10)13-14-5-3-6-15-13/h3,5-6,9-10,18H,2,4,7-8H2,1H3,(H,16,19).
What are the key properties of methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate?
methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate has a molecular weight of 294.31 g/mol, XLogP of -0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 43623563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).