[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate

C14H25NO5 — CID 46189366

IUPAC[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate
SMILESCC[C@H](C)C(=O)OC[C@@H](NC(=O)CC(C)C)C(=O)OC
InChIInChI=1S/C14H25NO5/c1-6-10(4)13(17)20-8-11(14(18)19-5)15-12(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyNRFRXBGEGSVYTR-WDEREUQCSA-N
MW287.36 g/mol
LogP1.28
Rot. Bonds8

About [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate

[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate (PubChem CID 46189366) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate.

Molecular Properties

Compound Name[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate
PubChem CID46189366
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate
SMILESCC[C@H](C)C(=O)OC[C@@H](NC(=O)CC(C)C)C(=O)OC
InChIInChI=1S/C14H25NO5/c1-6-10(4)13(17)20-8-11(14(18)19-5)15-12(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyNRFRXBGEGSVYTR-WDEREUQCSA-N
XLogP1.28
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-methylbutanoylamino)-3-(2-methylpropanoyloxy)propanoic acid
CID 172869400
methyl 4-methyl-2-(3-methylpentanoylamino)pentanoate
CID 114875725
methyl (2S)-2-(3-aminopentanoylamino)-4-methylpentanoate
CID 103954820
ethane;methyl (2R)-2-methylbutanoate
CID 143689114
3-methyl-N-(2-oxopentan-3-yl)butanamide
CID 178112786
(2-hydroxy-4-methoxy-4-oxobutyl) 2-methylbutanoate
CID 134215716
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
2-(2-methylpropoxy)propyl 2-methylbutanoate
CID 174484897
3-methyl-N-(3-methyl-1-oxopentan-2-yl)butanamide
CID 123144542
methyl 2-[(4-amino-3-methylbutanoyl)amino]-4-methylpentanoate
CID 81076154

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate?
The IUPAC name of [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate (CID 46189366) is [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate.
What is the SMILES notation for [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate?
The canonical SMILES for [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate is CC[C@H](C)C(=O)OC[C@@H](NC(=O)CC(C)C)C(=O)OC.
What is the InChIKey of [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate?
The InChIKey is NRFRXBGEGSVYTR-WDEREUQCSA-N. The full InChI is InChI=1S/C14H25NO5/c1-6-10(4)13(17)20-8-11(14(18)19-5)15-12(16)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate?
[(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate has a molecular weight of 287.36 g/mol, XLogP of 1.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methoxy-2-(3-methylbutanoylamino)-3-oxopropyl] (2S)-2-methylbutanoate is sourced from PubChem (CID 46189366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).