ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate

C14H17N5O2 — CID 62006681

IUPACethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(c1nnnn1-c1ccccc1)C1CC1
InChIInChI=1S/C14H17N5O2/c1-2-21-13(20)10-18(11-8-9-11)14-15-16-17-19(14)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyKBOPGJVASSMHHC-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.19
Rot. Bonds6

About ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate

ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate (PubChem CID 62006681) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate
PubChem CID62006681
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Nameethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate
SMILESCCOC(=O)CN(c1nnnn1-c1ccccc1)C1CC1
InChIInChI=1S/C14H17N5O2/c1-2-21-13(20)10-18(11-8-9-11)14-15-16-17-19(14)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3
InChIKeyKBOPGJVASSMHHC-UHFFFAOYSA-N
XLogP1.19
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
CID 62007419
3-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]-N'-hydroxypropanimidamide
CID 76911864
N-(2-chloroethyl)-N-cyclopentyl-1-phenyltetrazol-5-amine
CID 63388458
4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylic acid
CID 126511695
ethyl 2-[cyclopropyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733396
2-[cyclopropylmethyl-(1-phenyltetrazol-5-yl)amino]acetic acid
CID 43656375
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
1-N,4-N-dimethyl-4-N-(1-phenyltetrazol-5-yl)cyclohexane-1,4-diamine
CID 79118869
tert-butyl 4-(N-(2-ethoxy-2-oxoethyl)anilino)piperidine-1-carboxylate
CID 126511699
ethyl 2-[[1-(3-chlorophenyl)-5-methyltriazole-4-carbonyl]-cyclopropylamino]acetate
CID 86840840
ethyl 4-oxo-4-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butanoate
CID 30936106

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate (CID 62006681) is ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate is CCOC(=O)CN(c1nnnn1-c1ccccc1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate?
The InChIKey is KBOPGJVASSMHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-21-13(20)10-18(11-8-9-11)14-15-16-17-19(14)12-6-4-3-5-7-12/h3-7,11H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate?
ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate has a molecular weight of 287.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate is sourced from PubChem (CID 62006681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).