(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride

C15H23ClN2O2 — CID 120784065

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
SMILESCc1ccccc1C(C)NC(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-5-3-4-6-13(10)11(2)17-15(18)14-8-7-12(9-16)19-14;/h3-6,11-12,14H,7-9,16H2,1-2H3,(H,17,18);1H/t11?,12-,14+;/m1./s1
InChIKeyJCPZWFXALPAKEY-AGZSBWMOSA-N
MW298.81 g/mol
LogP2.10
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride

(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride (PubChem CID 120784065) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
PubChem CID120784065
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
SMILESCc1ccccc1C(C)NC(=O)[C@@H]1CC[C@H](CN)O1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-10-5-3-4-6-13(10)11(2)17-15(18)14-8-7-12(9-16)19-14;/h3-6,11-12,14H,7-9,16H2,1-2H3,(H,17,18);1H/t11?,12-,14+;/m1./s1
InChIKeyJCPZWFXALPAKEY-AGZSBWMOSA-N
XLogP2.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
CID 120793696
(2S,5R)-5-(aminomethyl)-N-[cyclopropyl-(2-methylphenyl)methyl]oxolane-2-carboxamide
CID 120793016
(2S,5R)-5-(aminomethyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120788249
(2R,5S)-5-[1-(2-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944480
(2S,5R)-5-(aminomethyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120793169
(2S,5R)-5-(aminomethyl)-N-[1-(4-phenoxyphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791365
(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
(2S,5R)-5-(aminomethyl)-N-(3-phenylbutan-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120793755
(2S,5R)-5-(aminomethyl)-N-[1-(2,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784088
(2S,5R)-5-(aminomethyl)-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120787279
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
CID 81410076

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride (CID 120784065) is (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride is Cc1ccccc1C(C)NC(=O)[C@@H]1CC[C@H](CN)O1.Cl.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
The InChIKey is JCPZWFXALPAKEY-AGZSBWMOSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-10-5-3-4-6-13(10)11(2)17-15(18)14-8-7-12(9-16)19-14;/h3-6,11-12,14H,7-9,16H2,1-2H3,(H,17,18);1H/t11?,12-,14+;/m1./s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride?
(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.10, 4 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-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120784065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).