(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide

C16H24N2O2 — CID 120793696

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
SMILESCc1cccc(C(C)NC(=O)[C@@H]2CC[C@H](CN)O2)c1C
InChIInChI=1S/C16H24N2O2/c1-10-5-4-6-14(11(10)2)12(3)18-16(19)15-8-7-13(9-17)20-15/h4-6,12-13,15H,7-9,17H2,1-3H3,(H,18,19)/t12?,13-,15+/m1/s1
InChIKeyBLTGLRAKBVABCA-RLSDIYDTSA-N
MW276.38 g/mol
LogP1.99
Rot. Bonds4

About (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide (PubChem CID 120793696) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
PubChem CID120793696
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide
SMILESCc1cccc(C(C)NC(=O)[C@@H]2CC[C@H](CN)O2)c1C
InChIInChI=1S/C16H24N2O2/c1-10-5-4-6-14(11(10)2)12(3)18-16(19)15-8-7-13(9-17)20-15/h4-6,12-13,15H,7-9,17H2,1-3H3,(H,18,19)/t12?,13-,15+/m1/s1
InChIKeyBLTGLRAKBVABCA-RLSDIYDTSA-N
XLogP1.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-[1-(2-methylphenyl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120784065
(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
(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-[1-(2,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784088
5-(aminomethyl)-N-[(1S)-1-pyridin-4-ylethyl]oxolane-2-carboxamide
CID 81410076
(2S,5R)-5-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038
5-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxolane-2-carboxamide
CID 81363772
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
(2R,5S)-5-[1-(2-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944480
(2S,5R)-5-(aminomethyl)-N-[1-(3,4-difluorophenyl)ethyl]oxolane-2-carboxamide
CID 120784096

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide (CID 120793696) is (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide is Cc1cccc(C(C)NC(=O)[C@@H]2CC[C@H](CN)O2)c1C.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide?
The InChIKey is BLTGLRAKBVABCA-RLSDIYDTSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-5-4-6-14(11(10)2)12(3)18-16(19)15-8-7-13(9-17)20-15/h4-6,12-13,15H,7-9,17H2,1-3H3,(H,18,19)/t12?,13-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.99, 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-(2,3-dimethylphenyl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120793696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).