(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide

C12H24N2O2 — CID 104929441

IUPAC(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
SMILESC=C(C)COCCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)8-16-7-6-14-11(15)10(13)12(3,4)5/h10H,1,6-8,13H2,2-5H3,(H,14,15)/t10-/m0/s1
InChIKeyYTOYHXNAIDGYLB-JTQLQIEISA-N
MW228.34 g/mol
LogP1.07
Rot. Bonds6

About (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide (PubChem CID 104929441) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
PubChem CID104929441
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
SMILESC=C(C)COCCNC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)8-16-7-6-14-11(15)10(13)12(3,4)5/h10H,1,6-8,13H2,2-5H3,(H,14,15)/t10-/m0/s1
InChIKeyYTOYHXNAIDGYLB-JTQLQIEISA-N
XLogP1.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]ethoxy]acetic acid
CID 103930180
(2S,3S)-2-amino-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentanamide
CID 104929437
2-(carbamoylamino)-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 113258390
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propylpentanamide
CID 115761081
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
(2S)-2-amino-N-(3-ethoxypropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119675575
2-(ethylamino)-2-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467973
N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700214
3-amino-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 114467833
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide (CID 104929441) is (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide is C=C(C)COCCNC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
The InChIKey is YTOYHXNAIDGYLB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)8-16-7-6-14-11(15)10(13)12(3,4)5/h10H,1,6-8,13H2,2-5H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide is sourced from PubChem (CID 104929441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).