ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate

C14H19N5O2 — CID 62007419

IUPACethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(c1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C14H19N5O2/c1-4-21-13(20)10-18(11(2)3)14-15-16-17-19(14)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeySYTVUYMAWSNGGO-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.44
Rot. Bonds6

About ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate

ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate (PubChem CID 62007419) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
PubChem CID62007419
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Nameethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(c1nnnn1-c1ccccc1)C(C)C
InChIInChI=1S/C14H19N5O2/c1-4-21-13(20)10-18(11(2)3)14-15-16-17-19(14)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3
InChIKeySYTVUYMAWSNGGO-UHFFFAOYSA-N
XLogP1.44
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[cyclopropyl-(1-phenyltetrazol-5-yl)amino]acetate
CID 62006681
2-[methyl-(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 62637944
N-methyl-3,3-diphenyl-N-(1-phenyltetrazol-5-yl)propanamide
CID 167971120
1-[methyl-(1-phenyltetrazol-5-yl)amino]propan-2-ol
CID 62333734
ethyl 2-[propan-2-yl(pyridazin-3-yl)amino]acetate
CID 114998997
N-(2-bromoethyl)-N-pentan-3-yl-1-phenyltetrazol-5-amine
CID 80680534
1-N-methyl-1-N-(1-phenyltetrazol-5-yl)propane-1,2-diamine
CID 63760949
ethyl 2-[(3-methylquinoxalin-2-yl)-propan-2-ylamino]acetate
CID 62375691
ethyl 2-fluoro-2-(1-phenyltetrazol-5-yl)sulfanylacetate
CID 79357235
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate (CID 62007419) is ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate is CCOC(=O)CN(c1nnnn1-c1ccccc1)C(C)C.
What is the InChIKey of ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate?
The InChIKey is SYTVUYMAWSNGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-21-13(20)10-18(11(2)3)14-15-16-17-19(14)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3.
What are the key properties of ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate?
ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate has a molecular weight of 289.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-phenyltetrazol-5-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 62007419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).