(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide

C13H28N2O — CID 104903603

IUPAC(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
SMILESCCC(CC)(CC)NC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(7-2,8-3)15-12(16)11(14)9-10(4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16)/t11-/m1/s1
InChIKeyFRWFJMYUHQTZEC-LLVKDONJSA-N
MW228.38 g/mol
LogP2.44
Rot. Bonds7

About (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide

(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide (PubChem CID 104903603) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
PubChem CID104903603
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide
SMILESCCC(CC)(CC)NC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H28N2O/c1-6-13(7-2,8-3)15-12(16)11(14)9-10(4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16)/t11-/m1/s1
InChIKeyFRWFJMYUHQTZEC-LLVKDONJSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107852753
2-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-ethylbutanoic acid
CID 79803549
(2S)-2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide
CID 104873418
2-amino-N-(2,2-dimethylbutyl)-4-methylpentanamide
CID 103461635
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
N-(3-ethylpentan-3-yl)-2-sulfanylpropanamide
CID 107031126
2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
CID 114010603
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 62049630
2-amino-N-(1-hydroxybutan-2-yl)-4-methylpentanamide
CID 43500021
(2R)-2-amino-N-(3-ethylpentan-3-yl)-3-phenylpropanamide
CID 79004352
2-amino-N-(2-hydroxy-2-methylpropyl)-4-methylpentanamide
CID 65107509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide?
The IUPAC name of (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide (CID 104903603) is (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide?
The canonical SMILES for (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide is CCC(CC)(CC)NC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide?
The InChIKey is FRWFJMYUHQTZEC-LLVKDONJSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-13(7-2,8-3)15-12(16)11(14)9-10(4)5/h10-11H,6-9,14H2,1-5H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide?
(2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3-ethylpentan-3-yl)-4-methylpentanamide is sourced from PubChem (CID 104903603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).