ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate

C15H27N5O4 — CID 126831612

IUPACethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate
SMILESCCOC(=O)CCCCn1nnc(C(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H27N5O4/c1-6-23-12(21)9-7-8-10-20-18-13(17-19-20)11(2)16-14(22)24-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,22)
InChIKeyZKPINFPOPDORPO-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.99
Rot. Bonds8

About ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate

ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate (PubChem CID 126831612) has the molecular formula C15H27N5O4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate
PubChem CID126831612
Molecular FormulaC15H27N5O4
Molecular Weight341.41 g/mol
Exact Mass341.21
IUPAC Nameethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate
SMILESCCOC(=O)CCCCn1nnc(C(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C15H27N5O4/c1-6-23-12(21)9-7-8-10-20-18-13(17-19-20)11(2)16-14(22)24-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,22)
InChIKeyZKPINFPOPDORPO-UHFFFAOYSA-N
XLogP1.99
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-[3-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenoxy]heptanoate
CID 164593056
ethyl (5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoate
CID 15674439
tert-butyl N-[(1R)-1-(3-butylimidazol-4-yl)ethyl]carbamate
CID 114986110
tert-butyl N-[1-[3-(3-aminopropyl)imidazol-4-yl]ethyl]carbamate
CID 114704397
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoate
CID 14003425
tert-butyl N-[(1S)-1-(3-methylimidazol-4-yl)ethyl]carbamate
CID 114986188
tert-butyl N-[(1R)-1-(3-ethylimidazol-4-yl)ethyl]carbamate
CID 114986134
methyl 3-[5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 114986247
ethyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 157026850
tert-butyl N-[2-(5-methyltetrazol-2-yl)ethyl]carbamate
CID 90148596
ethyl 4-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 123550567
tert-butyl N-[(1S)-1-[3-(3-butoxypropyl)imidazol-4-yl]ethyl]carbamate
CID 104943758

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate?
The IUPAC name of ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate (CID 126831612) is ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate.
What is the SMILES notation for ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate?
The canonical SMILES for ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate is CCOC(=O)CCCCn1nnc(C(C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate?
The InChIKey is ZKPINFPOPDORPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O4/c1-6-23-12(21)9-7-8-10-20-18-13(17-19-20)11(2)16-14(22)24-15(3,4)5/h11H,6-10H2,1-5H3,(H,16,22).
What are the key properties of ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate?
ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate has a molecular weight of 341.41 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]tetrazol-2-yl]pentanoate is sourced from PubChem (CID 126831612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).