ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate

C15H25N3O5 — CID 177255273

IUPACethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate
SMILESCCOC(=O)[C@@]1(N2CCC(NC(=O)OC(C)(C)C)C2)NC=CO1
InChIInChI=1S/C15H25N3O5/c1-5-21-12(19)15(16-7-9-22-15)18-8-6-11(10-18)17-13(20)23-14(2,3)4/h7,9,11,16H,5-6,8,10H2,1-4H3,(H,17,20)/t11?,15-/m0/s1
InChIKeyPOIJNALPOWCAQW-MHTVFEQDSA-N
MW327.38 g/mol
LogP0.89
Rot. Bonds4

About ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate

ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate (PubChem CID 177255273) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate
PubChem CID177255273
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Nameethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate
SMILESCCOC(=O)[C@@]1(N2CCC(NC(=O)OC(C)(C)C)C2)NC=CO1
InChIInChI=1S/C15H25N3O5/c1-5-21-12(19)15(16-7-9-22-15)18-8-6-11(10-18)17-13(20)23-14(2,3)4/h7,9,11,16H,5-6,8,10H2,1-4H3,(H,17,20)/t11?,15-/m0/s1
InChIKeyPOIJNALPOWCAQW-MHTVFEQDSA-N
XLogP0.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
CID 59986888
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
tert-butyl N-[(3R)-1-(oxan-4-ylmethyl)pyrrolidin-3-yl]carbamate
CID 53256386
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
ethyl 3-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-oxopropanoate
CID 174735969
tert-butyl N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamate
CID 167448349
ethane;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]acetic acid
CID 142042736
tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
CID 75993976
tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
CID 59130918

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate?
The IUPAC name of ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate (CID 177255273) is ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate.
What is the SMILES notation for ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate?
The canonical SMILES for ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate is CCOC(=O)[C@@]1(N2CCC(NC(=O)OC(C)(C)C)C2)NC=CO1.
What is the InChIKey of ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate?
The InChIKey is POIJNALPOWCAQW-MHTVFEQDSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-5-21-12(19)15(16-7-9-22-15)18-8-6-11(10-18)17-13(20)23-14(2,3)4/h7,9,11,16H,5-6,8,10H2,1-4H3,(H,17,20)/t11?,15-/m0/s1.
What are the key properties of ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate?
ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate has a molecular weight of 327.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-3H-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 177255273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).