tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate

C13H27FN2O2Si — CID 174024713

IUPACtert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]([SiH3])C1CCN(CCCF)C1
InChIInChI=1S/C13H27FN2O2Si/c1-13(2,3)18-12(17)15-11(19)10-5-8-16(9-10)7-4-6-14/h10-11H,4-9H2,1-3,19H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyBVLOVVNOPOCBFS-DTIOYNMSSA-N
MW290.45 g/mol
LogP0.88
Rot. Bonds5

About tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate

tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate (PubChem CID 174024713) has the molecular formula C13H27FN2O2Si and a molecular weight of 290.45 g/mol. Its IUPAC name is tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate
PubChem CID174024713
Molecular FormulaC13H27FN2O2Si
Molecular Weight290.45 g/mol
Exact Mass290.18
IUPAC Nametert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]([SiH3])C1CCN(CCCF)C1
InChIInChI=1S/C13H27FN2O2Si/c1-13(2,3)18-12(17)15-11(19)10-5-8-16(9-10)7-4-6-14/h10-11H,4-9H2,1-3,19H3,(H,15,17)/t10?,11-/m0/s1
InChIKeyBVLOVVNOPOCBFS-DTIOYNMSSA-N
XLogP0.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
methyl 5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 53419542
tert-butyl N-[1-[1-(1-propylpiperidin-3-yl)ethylamino]propan-2-yl]carbamate
CID 107247379
tert-butyl-[(3S)-1-(3-fluoropropyl)pyrrolidin-3-yl]carbamic acid
CID 170313052
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(1-methylpyrrolidin-3-yl)acetic acid
CID 84709491
tert-butyl N-[2-(methylamino)-1-(1-methylpyrrolidin-3-yl)ethyl]carbamate
CID 116861096
tert-butyl N-[(1S)-1-(1-benzylpyrrolidin-3-yl)propyl]carbamate
CID 10358533
tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate
CID 83982889
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 152973298
tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
CID 126820899

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate?
The IUPAC name of tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate (CID 174024713) is tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate is CC(C)(C)OC(=O)N[C@@H]([SiH3])C1CCN(CCCF)C1.
What is the InChIKey of tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate?
The InChIKey is BVLOVVNOPOCBFS-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H27FN2O2Si/c1-13(2,3)18-12(17)15-11(19)10-5-8-16(9-10)7-4-6-14/h10-11H,4-9H2,1-3,19H3,(H,15,17)/t10?,11-/m0/s1.
What are the key properties of tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate?
tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate has a molecular weight of 290.45 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(S)-[1-(3-fluoropropyl)pyrrolidin-3-yl]-silylmethyl]carbamate is sourced from PubChem (CID 174024713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).