methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate

C14H17N5O2 — CID 62109806

IUPACmethyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C14H17N5O2/c1-21-14(20)13(10-5-3-2-4-6-10)15-9-12-16-17-18-19(12)11-7-8-11/h2-6,11,13,15H,7-9H2,1H3
InChIKeyLOIYMNHGZAXBOF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.01
Rot. Bonds6

About methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate

methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate (PubChem CID 62109806) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate
PubChem CID62109806
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Namemethyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1nnnn1C1CC1)c1ccccc1
InChIInChI=1S/C14H17N5O2/c1-21-14(20)13(10-5-3-2-4-6-10)15-9-12-16-17-18-19(12)11-7-8-11/h2-6,11,13,15H,7-9H2,1H3
InChIKeyLOIYMNHGZAXBOF-UHFFFAOYSA-N
XLogP1.01
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 86922272
N-[(1-cyclohexyltetrazol-5-yl)methyl]-1,1-diphenylmethanamine
CID 57399061
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
2-phenyl-2-[(1-propyltetrazol-5-yl)methylamino]acetic acid
CID 62108843
ethyl 4-[5-[[1-(4-methoxyphenyl)ethylamino]methyl]tetrazol-1-yl]piperidine-1-carboxylate
CID 3702393
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
methyl 2-[(1-ethylpyrrol-3-yl)methylamino]-2-phenylacetate
CID 66415576
methyl (2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-phenylpropanoate
CID 25437754
methyl 2-[(1-ethylpyrazol-4-yl)methylamino]-2-phenylacetate
CID 62128125
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
CID 78997392

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate (CID 62109806) is methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate is COC(=O)C(NCc1nnnn1C1CC1)c1ccccc1.
What is the InChIKey of methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate?
The InChIKey is LOIYMNHGZAXBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-21-14(20)13(10-5-3-2-4-6-10)15-9-12-16-17-18-19(12)11-7-8-11/h2-6,11,13,15H,7-9H2,1H3.
What are the key properties of methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate?
methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate has a molecular weight of 287.32 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-cyclopropyltetrazol-5-yl)methylamino]-2-phenylacetate is sourced from PubChem (CID 62109806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).