ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate

C11H19N3O4 — CID 62013445

IUPACethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CCC(=O)NC(N)=O
InChIInChI=1S/C11H19N3O4/c1-2-18-10(16)8-4-3-6-14(8)7-5-9(15)13-11(12)17/h8H,2-7H2,1H3,(H3,12,13,15,17)
InChIKeyUMCGCBHMGJDIGW-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.40
Rot. Bonds5

About ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate

ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate (PubChem CID 62013445) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
PubChem CID62013445
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Nameethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1CCC(=O)NC(N)=O
InChIInChI=1S/C11H19N3O4/c1-2-18-10(16)8-4-3-6-14(8)7-5-9(15)13-11(12)17/h8H,2-7H2,1H3,(H3,12,13,15,17)
InChIKeyUMCGCBHMGJDIGW-UHFFFAOYSA-N
XLogP-0.40
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate (CID 62013445) is ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1CCC(=O)NC(N)=O.
What is the InChIKey of ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The InChIKey is UMCGCBHMGJDIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-2-18-10(16)8-4-3-6-14(8)7-5-9(15)13-11(12)17/h8H,2-7H2,1H3,(H3,12,13,15,17).
What are the key properties of ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62013445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).