(2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide

C12H24N2O4S — CID 120794934

IUPAC(2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C12H24N2O4S/c1-12(2,6-7-19(3,16)17)14-11(15)10-5-4-9(8-13)18-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyQVWHAMYWKYCWRC-ZJUUUORDSA-N
MW292.40 g/mol
LogP-0.18
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide (PubChem CID 120794934) has the molecular formula C12H24N2O4S and a molecular weight of 292.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide
PubChem CID120794934
Molecular FormulaC12H24N2O4S
Molecular Weight292.40 g/mol
Exact Mass292.15
IUPAC Name(2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C12H24N2O4S/c1-12(2,6-7-19(3,16)17)14-11(15)10-5-4-9(8-13)18-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyQVWHAMYWKYCWRC-ZJUUUORDSA-N
XLogP-0.18
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
(2S,5R)-5-(aminomethyl)-N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]oxolane-2-carboxamide
CID 120792156
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
(2R,5S)-5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945735
1-[5-(aminomethyl)oxolan-2-yl]-4,4-dimethylpentan-1-one
CID 116589055
(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
CID 120796944
(2S,5R)-5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)oxolane-2-carboxamide;hydrochloride
CID 120793583
(2S,5R)-5-(aminomethyl)-N-[2-(3-methylphenyl)propan-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120794223
(2S,5R)-5-(aminomethyl)-N-[2-(2-methoxyphenyl)propan-2-yl]oxolane-2-carboxamide
CID 120792004
(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide
CID 120794872
(2S,5R)-5-(aminomethyl)-N-(2-tert-butylsulfinylethyl)oxolane-2-carboxamide;hydrochloride
CID 120793223
(2S,5R)-5-(aminomethyl)-N-(2,4-dimethyl-1,3-thiazol-5-yl)oxolane-2-carboxamide
CID 120795566

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide (CID 120794934) is (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide is CC(C)(CCS(C)(=O)=O)NC(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide?
The InChIKey is QVWHAMYWKYCWRC-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24N2O4S/c1-12(2,6-7-19(3,16)17)14-11(15)10-5-4-9(8-13)18-10/h9-10H,4-8,13H2,1-3H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide has a molecular weight of 292.40 g/mol, XLogP of -0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-(2-methyl-4-methylsulfonylbutan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 120794934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).