methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate

C13H23N5O4 — CID 23404388

IUPACmethyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate
SMILESCCC(NC(=O)OC(C)(C)C)c1nnnn1CCC(=O)OC
InChIInChI=1S/C13H23N5O4/c1-6-9(14-12(20)22-13(2,3)4)11-15-16-17-18(11)8-7-10(19)21-5/h9H,6-8H2,1-5H3,(H,14,20)
InChIKeyWNLYNLJDRLMHAF-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds6

About methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate

methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate (PubChem CID 23404388) has the molecular formula C13H23N5O4 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate
PubChem CID23404388
Molecular FormulaC13H23N5O4
Molecular Weight313.36 g/mol
Exact Mass313.18
IUPAC Namemethyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate
SMILESCCC(NC(=O)OC(C)(C)C)c1nnnn1CCC(=O)OC
InChIInChI=1S/C13H23N5O4/c1-6-9(14-12(20)22-13(2,3)4)11-15-16-17-18(11)8-7-10(19)21-5/h9H,6-8H2,1-5H3,(H,14,20)
InChIKeyWNLYNLJDRLMHAF-UHFFFAOYSA-N
XLogP1.21
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl N-[(1R)-2-naphthalen-2-yl-1-[1-(2-phenylethyl)tetrazol-5-yl]ethyl]carbamate
CID 54448135
methyl 3-[5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 114986247
tert-butyl N-[1-[1-(2-cyanoethyl)tetrazol-5-yl]-4-(4-methylphenyl)but-3-ynyl]carbamate
CID 10762326
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
methyl 2-[[5-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 4896272
tert-butyl N-[(1R)-1-[3-[(E)-pent-3-enyl]imidazol-4-yl]propyl]carbamate
CID 104943854
tert-butyl N-[(1S)-1-[1-(2-cyanoethyl)tetrazol-5-yl]-2-dibenzofuran-3-ylethyl]carbamate
CID 10788857
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-[[1-[[[(2R)-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]amino]-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methyl]cyclopentyl]methyl]carbamate
CID 167936189
tert-butyl N-[(1R)-1-(3-but-3-ynylimidazol-4-yl)propyl]carbamate
CID 114986305
tert-butyl N-[(1R,2S)-1-(1-tert-butyltetrazol-5-yl)-1-hydroxypropan-2-yl]carbamate
CID 101458585
CID 162513184
CID 162513184

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate?
The IUPAC name of methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate (CID 23404388) is methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate.
What is the SMILES notation for methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate?
The canonical SMILES for methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate is CCC(NC(=O)OC(C)(C)C)c1nnnn1CCC(=O)OC.
What is the InChIKey of methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate?
The InChIKey is WNLYNLJDRLMHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O4/c1-6-9(14-12(20)22-13(2,3)4)11-15-16-17-18(11)8-7-10(19)21-5/h9H,6-8H2,1-5H3,(H,14,20).
What are the key properties of methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate?
methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate has a molecular weight of 313.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]tetrazol-1-yl]propanoate is sourced from PubChem (CID 23404388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).