(2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide

C14H20N2O2 — CID 77059008

IUPAC(2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide
SMILESC[C@H](N)[C@@H]1CC[C@H](C(=O)NCc2ccccc2)O1
InChIInChI=1S/C14H20N2O2/c1-10(15)12-7-8-13(18-12)14(17)16-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)/t10-,12-,13+/m0/s1
InChIKeySQMCLSYADPPAGM-WCFLWFBJSA-N
MW248.33 g/mol
LogP1.20
Rot. Bonds4

About (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide

(2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide (PubChem CID 77059008) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide
PubChem CID77059008
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide
SMILESC[C@H](N)[C@@H]1CC[C@H](C(=O)NCc2ccccc2)O1
InChIInChI=1S/C14H20N2O2/c1-10(15)12-7-8-13(18-12)14(17)16-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)/t10-,12-,13+/m0/s1
InChIKeySQMCLSYADPPAGM-WCFLWFBJSA-N
XLogP1.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5S)-5-[(1S)-1-aminoethyl]oxolane-2-carboxylic acid
CID 11708844
(2S,5R)-5-(aminomethyl)-N-[(4-propan-2-ylphenyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120786767
5-[(4-chlorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687496
(2S,5R)-5-(aminomethyl)-N-[3-(benzylamino)-3-oxopropyl]oxolane-2-carboxamide;hydrochloride
CID 120790955
5-[(3-carbamoylphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102687923
N-benzyl-3-cyclopropyl-2-methylpropanamide
CID 11218218
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
(2S,5R)-5-(aminomethyl)-N-[(4-tert-butylphenyl)methyl]oxolane-2-carboxamide
CID 120785936
(1S,2S,5R)-N-benzyl-2-methyl-5-propan-2-ylcyclopentane-1-carboxamide
CID 58850798
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide?
The IUPAC name of (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide (CID 77059008) is (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide?
The canonical SMILES for (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide is C[C@H](N)[C@@H]1CC[C@H](C(=O)NCc2ccccc2)O1.
What is the InChIKey of (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide?
The InChIKey is SQMCLSYADPPAGM-WCFLWFBJSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(15)12-7-8-13(18-12)14(17)16-9-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9,15H2,1H3,(H,16,17)/t10-,12-,13+/m0/s1.
What are the key properties of (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide?
(2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(1S)-1-aminoethyl]-N-benzyloxolane-2-carboxamide is sourced from PubChem (CID 77059008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).