(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride

C12H17ClN2O2 — CID 120782639

IUPAC(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2)O1
InChIInChI=1S/C12H16N2O2.ClH/c13-8-10-6-7-11(16-10)12(15)14-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2,(H,14,15);1H/t10-,11+;/m1./s1
InChIKeyAGYMBIQJSWHFOW-DHXVBOOMSA-N
MW256.73 g/mol
LogP1.55
Rot. Bonds3

About (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride (PubChem CID 120782639) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
PubChem CID120782639
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride
SMILESCl.NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2)O1
InChIInChI=1S/C12H16N2O2.ClH/c13-8-10-6-7-11(16-10)12(15)14-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2,(H,14,15);1H/t10-,11+;/m1./s1
InChIKeyAGYMBIQJSWHFOW-DHXVBOOMSA-N
XLogP1.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[3-(phenylcarbamoylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785329
(2S,5R)-5-(aminomethyl)-N-(4-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801765
(2S,5R)-5-(aminomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120785287
(2S,5R)-5-(aminomethyl)-N-[4-(carbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785402
(2S,5R)-5-(aminomethyl)-N-(3-hydroxyphenyl)oxolane-2-carboxamide;hydrochloride
CID 120801761
(2S,5R)-5-(aminomethyl)-N-(4-methylphenyl)oxolane-2-carboxamide
CID 120782708
(2S,5R)-5-(aminomethyl)-N-(4-propan-2-ylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782887
(2S,5R)-5-(aminomethyl)-N-(2-hydroxyphenyl)oxolane-2-carboxamide
CID 120801756
(2S,5R)-5-(aminomethyl)-N-(3-methylsulfanylphenyl)oxolane-2-carboxamide;hydrochloride
CID 120782725
3-[3-[[5-(aminomethyl)oxolane-2-carbonyl]amino]phenyl]propanoic acid
CID 115339928
(2S,5R)-5-(aminomethyl)-N-[3-(benzylsulfonylmethyl)phenyl]oxolane-2-carboxamide
CID 120794006
(2S,5R)-5-(aminomethyl)-N-[3-(methylcarbamoylamino)phenyl]oxolane-2-carboxamide
CID 120785446

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride (CID 120782639) is (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride is Cl.NC[C@H]1CC[C@@H](C(=O)Nc2ccccc2)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride?
The InChIKey is AGYMBIQJSWHFOW-DHXVBOOMSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c13-8-10-6-7-11(16-10)12(15)14-9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2,(H,14,15);1H/t10-,11+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-phenyloxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120782639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).