(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide

C13H24N2O3 — CID 129399481

IUPAC(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)[C@H]1CCCO[C@@H]1C
InChIInChI=1S/C13H24N2O3/c1-9(2)7-15(8-12(14)16)13(17)11-5-4-6-18-10(11)3/h9-11H,4-8H2,1-3H3,(H2,14,16)/t10-,11+/m1/s1
InChIKeyLBQQMYHWSLJAET-MNOVXSKESA-N
MW256.35 g/mol
LogP0.77
Rot. Bonds5

About (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide

(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide (PubChem CID 129399481) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide
PubChem CID129399481
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)[C@H]1CCCO[C@@H]1C
InChIInChI=1S/C13H24N2O3/c1-9(2)7-15(8-12(14)16)13(17)11-5-4-6-18-10(11)3/h9-11H,4-8H2,1-3H3,(H2,14,16)/t10-,11+/m1/s1
InChIKeyLBQQMYHWSLJAET-MNOVXSKESA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 114995361
N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 60962738
cis-(1R,2S)-2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 847386
(2R,3R)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
CID 129399564
(2R,3S)-N-ethyl-N-(2-hydroxyethyl)-2-methyloxane-3-carboxamide
CID 129399565
2-[(2-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetic acid
CID 107175437
N-(2-amino-2-sulfanylideneethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79759277
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2-methyloxolane-3-carboxamide
CID 79763170
N-(2-amino-2-hydroxyiminoethyl)-2-methyl-N-propan-2-yloxolane-3-carboxamide
CID 79762647
N-(2-amino-2-sulfanylideneethyl)-N,2-dimethyloxolane-3-carboxamide
CID 79758470
2-amino-N,N-bis(2-amino-2-oxoethyl)-3-methylcyclohexane-1-carboxamide
CID 62921617
4-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)cyclopent-2-ene-1-carboxamide
CID 79211449

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide?
The IUPAC name of (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide (CID 129399481) is (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide is CC(C)CN(CC(N)=O)C(=O)[C@H]1CCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide?
The InChIKey is LBQQMYHWSLJAET-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)7-15(8-12(14)16)13(17)11-5-4-6-18-10(11)3/h9-11H,4-8H2,1-3H3,(H2,14,16)/t10-,11+/m1/s1.
What are the key properties of (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide?
(2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2-amino-2-oxoethyl)-2-methyl-N-(2-methylpropyl)oxane-3-carboxamide is sourced from PubChem (CID 129399481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).