(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid

C13H25NO3 — CID 119363291

IUPAC(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid
SMILESCCCC(C)CC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-5-6-10(4)8-12(15)14-11(13(16)17)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,15)(H,16,17)/t10?,11-/m1/s1
InChIKeyLNDRLXODXIWOPC-RRKGBCIJSA-N
MW243.35 g/mol
LogP2.43
Rot. Bonds8

About (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid

(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid (PubChem CID 119363291) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid
PubChem CID119363291
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid
SMILESCCCC(C)CC(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C13H25NO3/c1-5-6-10(4)8-12(15)14-11(13(16)17)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,15)(H,16,17)/t10?,11-/m1/s1
InChIKeyLNDRLXODXIWOPC-RRKGBCIJSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(3-methylhexanoylamino)pentanoic acid
CID 119188349
(2S)-4-methyl-2-[[2-(3-methylhexanoylamino)acetyl]amino]pentanoic acid
CID 120694809
(2S)-2-(3,5-dimethylhexanoylamino)hexanoic acid
CID 120614230
(2S)-2-(3-ethylpentanoylamino)-4-methylpentanoic acid
CID 119361583
4-methyl-2-(2-methylpentylcarbamoylamino)pentanoic acid
CID 55055578
(2S)-2-(3,4-dimethylpentanoylamino)-4-methylpentanoic acid
CID 119361522
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
2-(3-methylhexanoylamino)-3-phenylpropanoic acid
CID 119165826
(2S)-4-methyl-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 78952360

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid (CID 119363291) is (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid is CCCC(C)CC(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid?
The InChIKey is LNDRLXODXIWOPC-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-6-10(4)8-12(15)14-11(13(16)17)7-9(2)3/h9-11H,5-8H2,1-4H3,(H,14,15)(H,16,17)/t10?,11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid?
(2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid has a molecular weight of 243.35 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(3-methylhexanoylamino)pentanoic acid is sourced from PubChem (CID 119363291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).