(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide

C12H26N2O2 — CID 106349815

IUPAC(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
SMILESCC(C)C(CCO)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-8(2)9(6-7-15)14-11(16)10(13)12(3,4)5/h8-10,15H,6-7,13H2,1-5H3,(H,14,16)/t9?,10-/m0/s1
InChIKeyYUIPTAAYFXGPTQ-AXDSSHIGSA-N
MW230.35 g/mol
LogP0.88
Rot. Bonds5

About (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide

(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide (PubChem CID 106349815) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
PubChem CID106349815
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
SMILESCC(C)C(CCO)NC(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-8(2)9(6-7-15)14-11(16)10(13)12(3,4)5/h8-10,15H,6-7,13H2,1-5H3,(H,14,16)/t9?,10-/m0/s1
InChIKeyYUIPTAAYFXGPTQ-AXDSSHIGSA-N
XLogP0.88
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-[[(2S)-5-amino-1-hydroxy-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium
CID 72200571
N-[(3S)-1-hydroxy-4-methylpentan-3-yl]-2-methyl-2-piperidin-1-ylpropanamide
CID 164641472
Ethanediamide, N,N'-bis[(1S)-1-(hydroxymethyl)-3-methylbutyl]-
CID 12139646
N-[(2R)-1-hydroxy-4-methylpentan-2-yl]-N'-[(2S)-1-hydroxy-4-methylpentan-2-yl]oxamide
CID 101334502
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 103949936
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide
CID 106176681
(2R)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide
CID 106176683
(2S)-2-amino-N-(2,2-difluoro-3-hydroxypropyl)-3,3-dimethylbutanamide
CID 106176855
2-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106349576
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106350070
4,4,4-trifluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
CID 106353261
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 114176858

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide (CID 106349815) is (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide is CC(C)C(CCO)NC(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide?
The InChIKey is YUIPTAAYFXGPTQ-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-8(2)9(6-7-15)14-11(16)10(13)12(3,4)5/h8-10,15H,6-7,13H2,1-5H3,(H,14,16)/t9?,10-/m0/s1.
What are the key properties of (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide?
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide has a molecular weight of 230.35 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 106349815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).