tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate

C16H32N2O4 — CID 124730821

IUPACtert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate
SMILESCOC[C@H](CO)N[C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O4/c1-12(17-13(10-19)11-21-5)9-14-7-6-8-18(14)15(20)22-16(2,3)4/h12-14,17,19H,6-11H2,1-5H3/t12-,13+,14-/m1/s1
InChIKeyIANOLQYGNMXRBT-HZSPNIEDSA-N
MW316.44 g/mol
LogP1.76
Rot. Bonds7

About tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate (PubChem CID 124730821) has the molecular formula C16H32N2O4 and a molecular weight of 316.44 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate
PubChem CID124730821
Molecular FormulaC16H32N2O4
Molecular Weight316.44 g/mol
Exact Mass316.24
IUPAC Nametert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate
SMILESCOC[C@H](CO)N[C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H32N2O4/c1-12(17-13(10-19)11-21-5)9-14-7-6-8-18(14)15(20)22-16(2,3)4/h12-14,17,19H,6-11H2,1-5H3/t12-,13+,14-/m1/s1
InChIKeyIANOLQYGNMXRBT-HZSPNIEDSA-N
XLogP1.76
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propyl]piperidine-1-carboxylate
CID 106187174
tert-butyl 2-[2-(4-methoxybutan-2-ylamino)propyl]pyrrolidine-1-carboxylate
CID 103723728
tert-butyl 2-[2-(1-methoxypropan-2-ylamino)propyl]azepane-1-carboxylate
CID 103724545
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
CID 103723941
tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
CID 114415063
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 2-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]pyrrolidine-1-carboxylate
CID 113248586
tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
CID 103879002
tert-butyl 2-(2-hydroxy-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 134341292

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate (CID 124730821) is tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate is COC[C@H](CO)N[C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate?
The InChIKey is IANOLQYGNMXRBT-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H32N2O4/c1-12(17-13(10-19)11-21-5)9-14-7-6-8-18(14)15(20)22-16(2,3)4/h12-14,17,19H,6-11H2,1-5H3/t12-,13+,14-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate has a molecular weight of 316.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(2R)-2-[[(2S)-1-hydroxy-3-methoxypropan-2-yl]amino]propyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 124730821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).