(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid

C14H27NO3 — CID 78975573

IUPAC(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
SMILESCCCCC(CC)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-5-7-8-11(6-2)13(16)15-12(14(17)18)9-10(3)4/h10-12H,5-9H2,1-4H3,(H,15,16)(H,17,18)/t11?,12-/m1/s1
InChIKeyDFMXTYXXBISIDI-PIJUOVFKSA-N
MW257.37 g/mol
LogP2.82
Rot. Bonds9

About (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid

(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid (PubChem CID 78975573) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
PubChem CID78975573
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid
SMILESCCCCC(CC)C(=O)N[C@H](CC(C)C)C(=O)O
InChIInChI=1S/C14H27NO3/c1-5-7-8-11(6-2)13(16)15-12(14(17)18)9-10(3)4/h10-12H,5-9H2,1-4H3,(H,15,16)(H,17,18)/t11?,12-/m1/s1
InChIKeyDFMXTYXXBISIDI-PIJUOVFKSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylhexanoylamino)hexanoic acid
CID 43469873
2-(2-ethylhexanoylamino)-3-methoxypropanoic acid
CID 81076563
2-[2-(aminomethyl)butanoylamino]-4-methylpentanoic acid
CID 65227373
(2S)-5-amino-2-(2-ethylhexanoylamino)pentanoic acid
CID 18606616
N-(1-amino-4-methylpentan-2-yl)-2-ethylhexanamide
CID 55243513
5-amino-2-(2-ethylhexanoylamino)-5-oxopentanoic acid
CID 43125486
(2S)-2-[[(2S)-2-butylheptanoyl]amino]butanoic acid
CID 87898697
(2S)-4-methyl-2-(2-pent-4-enylnonanoylamino)pentanoic acid
CID 156858036
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
6-(2-ethylhexanoylamino)-2-methylheptanoic acid
CID 65285585
2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 87526152
2-[2-(aminomethyl)butanoylamino]hexanoic acid
CID 65229403

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid (CID 78975573) is (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid is CCCCC(CC)C(=O)N[C@H](CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid?
The InChIKey is DFMXTYXXBISIDI-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-7-8-11(6-2)13(16)15-12(14(17)18)9-10(3)4/h10-12H,5-9H2,1-4H3,(H,15,16)(H,17,18)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid?
(2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethylhexanoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 78975573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).