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

C10H17N3O4 — CID 62028632

IUPACmethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCC(=O)NC(N)=O
InChIInChI=1S/C10H17N3O4/c1-17-9(15)7-3-2-5-13(7)6-4-8(14)12-10(11)16/h7H,2-6H2,1H3,(H3,11,12,14,16)
InChIKeyQRFFEAUFASDKQD-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.79
Rot. Bonds4

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

methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate (PubChem CID 62028632) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
PubChem CID62028632
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Namemethyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1CCC(=O)NC(N)=O
InChIInChI=1S/C10H17N3O4/c1-17-9(15)7-3-2-5-13(7)6-4-8(14)12-10(11)16/h7H,2-6H2,1H3,(H3,11,12,14,16)
InChIKeyQRFFEAUFASDKQD-UHFFFAOYSA-N
XLogP-0.79
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate (CID 62028632) is methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate is COC(=O)C1CCCN1CCC(=O)NC(N)=O.
What is the InChIKey of methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The InChIKey is QRFFEAUFASDKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-17-9(15)7-3-2-5-13(7)6-4-8(14)12-10(11)16/h7H,2-6H2,1H3,(H3,11,12,14,16).
What are the key properties of methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62028632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).