(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide

C11H24N2O2 — CID 104869216

IUPAC(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
SMILESCC(O)CCN(C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-8(14)6-7-13(5)10(15)9(12)11(2,3)4/h8-9,14H,6-7,12H2,1-5H3/t8?,9-/m0/s1
InChIKeyVQQKFSGGWGJCJT-GKAPJAKFSA-N
MW216.32 g/mol
LogP0.59
Rot. Bonds4

About (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide

(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide (PubChem CID 104869216) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
PubChem CID104869216
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide
SMILESCC(O)CCN(C)C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C11H24N2O2/c1-8(14)6-7-13(5)10(15)9(12)11(2,3)4/h8-9,14H,6-7,12H2,1-5H3/t8?,9-/m0/s1
InChIKeyVQQKFSGGWGJCJT-GKAPJAKFSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-ethyl-N,3,3-trimethylbutanamide
CID 61154665
3-amino-N-(3-hydroxybutyl)-N,5,5-trimethylhexanamide
CID 113499567
N-(3-hydroxybutyl)-N,2,2-trimethylbutanamide
CID 111695856
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
2-ethoxy-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695628
2-amino-N,3,3-trimethylbutanehydrazide
CID 116848874
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
(2S)-2-amino-N-(3-hydroxybutyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104869224
2-amino-N,N-bis(2-amino-2-oxoethyl)-3,3-dimethylbutanamide
CID 76977906
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,3,3-trimethylbutanamide
CID 76911278
(2S)-2-amino-N,N-bis[3-(dimethylamino)propyl]-3,3-dimethylbutanamide
CID 61163638

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide (CID 104869216) is (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide is CC(O)CCN(C)C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide?
The InChIKey is VQQKFSGGWGJCJT-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(14)6-7-13(5)10(15)9(12)11(2,3)4/h8-9,14H,6-7,12H2,1-5H3/t8?,9-/m0/s1.
What are the key properties of (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide?
(2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide has a molecular weight of 216.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-hydroxybutyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 104869216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).