[(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate

C13H25NO3 — CID 97025290

IUPAC[(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate
SMILESCC[C@@H](C)C(=O)NCC(=O)O[C@H](C)CC(C)C
InChIInChI=1S/C13H25NO3/c1-6-10(4)13(16)14-8-12(15)17-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyGDODYPIUPOBQBO-GHMZBOCLSA-N
MW243.35 g/mol
LogP2.13
Rot. Bonds7

About [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate

[(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate (PubChem CID 97025290) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate.

Molecular Properties

Compound Name[(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate
PubChem CID97025290
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name[(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate
SMILESCC[C@@H](C)C(=O)NCC(=O)O[C@H](C)CC(C)C
InChIInChI=1S/C13H25NO3/c1-6-10(4)13(16)14-8-12(15)17-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,16)/t10-,11-/m1/s1
InChIKeyGDODYPIUPOBQBO-GHMZBOCLSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[[(2S)-2-sulfanylpropanoyl]amino]acetate
CID 124677164
propan-2-yl 2-(2-sulfanylpropanoylamino)acetate
CID 86138159
2-methyl-N-(2-methylprop-2-enyl)butanamide
CID 114618817
2-[[(2S)-2,4-dimethylpentanoyl]amino]acetic acid
CID 134236014
[(2S)-4-methylpentan-2-yl] 2-bromoacetate
CID 56607260
bis(4-methylpentan-2-yl) pentanedioate
CID 87115694
[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 97006868
ethane;N-ethyl-2-methylbutanamide
CID 145471862
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
5-methyl-3-[(2-methylbutanoylamino)methyl]hexanoic acid
CID 65495173
5-(2-methylbutanoylamino)-4-oxopentanoic acid
CID 59623900
butyl 2-[(2-amino-4-methylpentanoyl)amino]acetate
CID 167423962

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate?
The IUPAC name of [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate (CID 97025290) is [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate.
What is the SMILES notation for [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate?
The canonical SMILES for [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate is CC[C@@H](C)C(=O)NCC(=O)O[C@H](C)CC(C)C.
What is the InChIKey of [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate?
The InChIKey is GDODYPIUPOBQBO-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H25NO3/c1-6-10(4)13(16)14-8-12(15)17-11(5)7-9(2)3/h9-11H,6-8H2,1-5H3,(H,14,16)/t10-,11-/m1/s1.
What are the key properties of [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate?
[(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate has a molecular weight of 243.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-methylpentan-2-yl] 2-[[(2R)-2-methylbutanoyl]amino]acetate is sourced from PubChem (CID 97025290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).