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

C15H27N3O5 — CID 164629623

IUPACtert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate
SMILESCOC[C@@]1(C(=O)OC(C)(C)C)CCCN1CCC(=O)NC(N)=O
InChIInChI=1S/C15H27N3O5/c1-14(2,3)23-12(20)15(10-22-4)7-5-8-18(15)9-6-11(19)17-13(16)21/h5-10H2,1-4H3,(H3,16,17,19,21)/t15-/m1/s1
InChIKeyPQOPKFOXQIJFFM-OAHLLOKOSA-N
MW329.40 g/mol
LogP0.39
Rot. Bonds6

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

tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate (PubChem CID 164629623) has the molecular formula C15H27N3O5 and a molecular weight of 329.40 g/mol. Its IUPAC name is tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate
PubChem CID164629623
Molecular FormulaC15H27N3O5
Molecular Weight329.40 g/mol
Exact Mass329.20
IUPAC Nametert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate
SMILESCOC[C@@]1(C(=O)OC(C)(C)C)CCCN1CCC(=O)NC(N)=O
InChIInChI=1S/C15H27N3O5/c1-14(2,3)23-12(20)15(10-22-4)7-5-8-18(15)9-6-11(19)17-13(16)21/h5-10H2,1-4H3,(H3,16,17,19,21)/t15-/m1/s1
InChIKeyPQOPKFOXQIJFFM-OAHLLOKOSA-N
XLogP0.39
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

CID 172880309
CID 172880309
CID 537228
CID 537228
CID 23206146
CID 23206146
CID 62013445
CID 62013445
CID 62028632
CID 62028632
CID 80709742
CID 80709742
CID 80711600
CID 80711600
CID 80999985
CID 80999985
CID 81002891
CID 81002891
CID 132320491
CID 132320491

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate (CID 164629623) is tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate is COC[C@@]1(C(=O)OC(C)(C)C)CCCN1CCC(=O)NC(N)=O.
What is the InChIKey of tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate?
The InChIKey is PQOPKFOXQIJFFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H27N3O5/c1-14(2,3)23-12(20)15(10-22-4)7-5-8-18(15)9-6-11(19)17-13(16)21/h5-10H2,1-4H3,(H3,16,17,19,21)/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-[3-(carbamoylamino)-3-oxopropyl]-2-(methoxymethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 164629623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).