(2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

C15H27NO5 — CID 106931624

IUPAC(2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCCC(C)CC(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H27NO5/c1-6-10(2)9-12(17)16-11(14(19)20)7-8-13(18)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17)(H,19,20)/t10?,11-/m1/s1
InChIKeyVDZAHYRKIMYVBE-RRKGBCIJSA-N
MW301.38 g/mol
LogP2.11
Rot. Bonds8

About (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid

(2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (PubChem CID 106931624) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
PubChem CID106931624
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Name(2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
SMILESCCC(C)CC(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C15H27NO5/c1-6-10(2)9-12(17)16-11(14(19)20)7-8-13(18)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17)(H,19,20)/t10?,11-/m1/s1
InChIKeyVDZAHYRKIMYVBE-RRKGBCIJSA-N
XLogP2.11
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(3-methylpentanoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 104982230
2-[(4-methoxy-4-oxobutanoyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58996824
(2R)-2-[(2-acetamidoacetyl)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931636
(2S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 58818226
(2S)-2-(4-methylpentanoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 82841237
5-methoxy-2-(3-methylpentanoylamino)pentanoic acid
CID 114873817
(2R)-2-[[2-(cyanomethylsulfanyl)acetyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 106931669
tert-butyl (2S)-2-(3-methylpentanoylamino)propanoate
CID 104982280
(2R)-5-[(2-methylpropan-2-yl)oxy]-2-[[methyl(propyl)carbamoyl]amino]-5-oxopentanoic acid
CID 106931728
tert-butyl (3R)-3-methylpentanoate
CID 158245009
(2S)-5-(2-aminoethylamino)-2-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-5-oxopentanoic acid
CID 121333040
2-(3-methylpentanoylamino)pent-4-ynoic acid
CID 114873842

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The IUPAC name of (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid (CID 106931624) is (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is CCC(C)CC(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
The InChIKey is VDZAHYRKIMYVBE-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H27NO5/c1-6-10(2)9-12(17)16-11(14(19)20)7-8-13(18)21-15(3,4)5/h10-11H,6-9H2,1-5H3,(H,16,17)(H,19,20)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid?
(2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid has a molecular weight of 301.38 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methylpentanoylamino)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid is sourced from PubChem (CID 106931624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).