(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide

C15H20N6O2 — CID 120793976

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H20N6O2/c1-10(17-15(22)13-8-7-12(9-16)23-13)14-18-19-20-21(14)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,16H2,1H3,(H,17,22)/t10?,12-,13+/m1/s1
InChIKeyGJSGLTAEIZXADJ-SOYIIFOFSA-N
MW316.37 g/mol
LogP0.35
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide (PubChem CID 120793976) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide
PubChem CID120793976
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide
SMILESCC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1nnnn1-c1ccccc1
InChIInChI=1S/C15H20N6O2/c1-10(17-15(22)13-8-7-12(9-16)23-13)14-18-19-20-21(14)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,16H2,1H3,(H,17,22)/t10?,12-,13+/m1/s1
InChIKeyGJSGLTAEIZXADJ-SOYIIFOFSA-N
XLogP0.35
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]oxolane-2-carboxamide
CID 120799188
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(2S,5R)-5-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038
(2R)-2-amino-N-[1-(1-phenyltetrazol-5-yl)ethyl]propanamide
CID 119328864
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
CID 81410076
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120796389
(2S,5R)-5-(aminomethyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787279
(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795867
2-[1-(1-phenyltetrazol-5-yl)ethylamino]cyclohexane-1-carboxamide
CID 86803770
trans-(1R,2R)-2-[[(1S)-1-(1-phenyltetrazol-5-yl)ethyl]amino]cyclohexane-1-carboxamide
CID 129445996

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide (CID 120793976) is (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide is CC(NC(=O)[C@@H]1CC[C@H](CN)O1)c1nnnn1-c1ccccc1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is GJSGLTAEIZXADJ-SOYIIFOFSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-10(17-15(22)13-8-7-12(9-16)23-13)14-18-19-20-21(14)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,16H2,1H3,(H,17,22)/t10?,12-,13+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 316.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(1-phenyltetrazol-5-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120793976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).