tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate

C13H23N3O4 — CID 80709742

IUPACtert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CCC(=O)NC(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,3)20-11(18)9-5-4-7-16(9)8-6-10(17)15-12(14)19/h9H,4-8H2,1-3H3,(H3,14,15,17,19)/t9-/m1/s1
InChIKeyHSQXRJHFTYTBRV-SECBINFHSA-N
MW285.34 g/mol
LogP0.38
Rot. Bonds4

About tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate

tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate (PubChem CID 80709742) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
PubChem CID80709742
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Nametert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1CCC(=O)NC(N)=O
InChIInChI=1S/C13H23N3O4/c1-13(2,3)20-11(18)9-5-4-7-16(9)8-6-10(17)15-12(14)19/h9H,4-8H2,1-3H3,(H3,14,15,17,19)/t9-/m1/s1
InChIKeyHSQXRJHFTYTBRV-SECBINFHSA-N
XLogP0.38
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate (CID 80709742) is tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1CCC(=O)NC(N)=O.
What is the InChIKey of tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
The InChIKey is HSQXRJHFTYTBRV-SECBINFHSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-13(2,3)20-11(18)9-5-4-7-16(9)8-6-10(17)15-12(14)19/h9H,4-8H2,1-3H3,(H3,14,15,17,19)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate has a molecular weight of 285.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 80709742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).