tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate

C15H24N2O4 — CID 75388151

IUPACtert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC1NCc1ccco1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-9-12(13(10-17)19-4)16-8-11-6-5-7-20-11/h5-7,12-13,16H,8-10H2,1-4H3/t12?,13-/m0/s1
InChIKeyLOAXSCHTHATOJK-ABLWVSNPSA-N
MW296.37 g/mol
LogP2.00
Rot. Bonds4

About tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate

tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate (PubChem CID 75388151) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate
PubChem CID75388151
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nametert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate
SMILESCO[C@H]1CN(C(=O)OC(C)(C)C)CC1NCc1ccco1
InChIInChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-9-12(13(10-17)19-4)16-8-11-6-5-7-20-11/h5-7,12-13,16H,8-10H2,1-4H3/t12?,13-/m0/s1
InChIKeyLOAXSCHTHATOJK-ABLWVSNPSA-N
XLogP2.00
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791
tert-butyl (3S)-3-methoxy-4-(1H-pyrazol-5-ylmethylamino)pyrrolidine-1-carboxylate
CID 103845395
tert-butyl (4S)-3-[[N'-[2-(furan-2-yl)ethyl]-N-prop-2-enylcarbamimidoyl]amino]-4-methoxypyrrolidine-1-carboxylate
CID 136727216
tert-butyl (4S)-3-(1H-indol-4-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate
CID 113334966
tert-butyl 3-[[2-(2-fluorophenyl)acetyl]amino]-4-methoxypyrrolidine-1-carboxylate
CID 136575996
tert-butyl (4S)-3-[(5-bromothiophen-3-yl)methylamino]-4-methoxypyrrolidine-1-carboxylate
CID 103845426
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
tert-butyl (4S)-3-[(4-cyanothiophen-2-yl)methylamino]-4-methoxypyrrolidine-1-carboxylate
CID 103845450
tert-butyl (3R,4R)-3-methoxy-4-(methylamino)pyrrolidine-1-carboxylate
CID 98008324
tert-butyl (4S)-3-[(1-ethenylpyrazol-4-yl)methylamino]-4-methoxypyrrolidine-1-carboxylate
CID 107094817
tert-butyl N-[4-(furan-2-ylmethylamino)cyclohexyl]carbamate
CID 78998933
tert-butyl 3-methoxy-4-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 70982900

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate (CID 75388151) is tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate is CO[C@H]1CN(C(=O)OC(C)(C)C)CC1NCc1ccco1.
What is the InChIKey of tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate?
The InChIKey is LOAXSCHTHATOJK-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-15(2,3)21-14(18)17-9-12(13(10-17)19-4)16-8-11-6-5-7-20-11/h5-7,12-13,16H,8-10H2,1-4H3/t12?,13-/m0/s1.
What are the key properties of tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate?
tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-3-(furan-2-ylmethylamino)-4-methoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 75388151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).