ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate

C13H18N4O3 — CID 60812163

IUPACethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C13H18N4O3/c1-2-20-11(18)9-16-12(19)10-5-3-8-17(10)13-14-6-4-7-15-13/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,19)
InChIKeyHDCBPVWFTRXBNN-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.12
Rot. Bonds5

About ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate

ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate (PubChem CID 60812163) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate
PubChem CID60812163
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Nameethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)C1CCCN1c1ncccn1
InChIInChI=1S/C13H18N4O3/c1-2-20-11(18)9-16-12(19)10-5-3-8-17(10)13-14-6-4-7-15-13/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,19)
InChIKeyHDCBPVWFTRXBNN-UHFFFAOYSA-N
XLogP0.12
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate (CID 60812163) is ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate is CCOC(=O)CNC(=O)C1CCCN1c1ncccn1.
What is the InChIKey of ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate?
The InChIKey is HDCBPVWFTRXBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-2-20-11(18)9-16-12(19)10-5-3-8-17(10)13-14-6-4-7-15-13/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,16,19).
What are the key properties of ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate?
ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate has a molecular weight of 278.31 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]acetate is sourced from PubChem (CID 60812163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).