acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

C11H21NO6 — CID 88525633

IUPACacetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(=O)O.CC(C(=O)O)[C@@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4.C2H4O2/c1-5(7(11)12)6(10)8(13)14-9(2,3)4;1-2(3)4/h5-6H,10H2,1-4H3,(H,11,12);1H3,(H,3,4)/t5?,6-;/m1./s1
InChIKeyZKPNIBYEHJNKLW-QFWZMSBNSA-N
MW263.29 g/mol
LogP0.47
Rot. Bonds3

About acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid

acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (PubChem CID 88525633) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.

Molecular Properties

Compound Nameacetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
PubChem CID88525633
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Nameacetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
SMILESCC(=O)O.CC(C(=O)O)[C@@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C9H17NO4.C2H4O2/c1-5(7(11)12)6(10)8(13)14-9(2,3)4;1-2(3)4/h5-6H,10H2,1-4H3,(H,11,12);1H3,(H,3,4)/t5?,6-;/m1./s1
InChIKeyZKPNIBYEHJNKLW-QFWZMSBNSA-N
XLogP0.47
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
tert-butyl 3,3-diamino-2-methylpropanoate
CID 18761797
(2S,3S)-3-amino-4-methoxy-2-methyl-4-oxobutanoic acid
CID 91023658
(2S)-2-[amino(hydroxy)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174431391
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
2-amino-3-methylbutanedioic acid
CID 852
3-amino-2,5,5-trimethyl-4-oxohexanoic acid
CID 130346585
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
4-amino-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentanoic acid
CID 87342926
ditert-butyl 2,3-bis(deuterioamino)butanedioate
CID 175944485
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pent-4-enoic acid
CID 87779163
(2S)-2-aminopropanoic acid;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 91150846

Frequently Asked Questions

What is the IUPAC name of acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The IUPAC name of acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid (CID 88525633) is acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid.
What is the SMILES notation for acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The canonical SMILES for acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is CC(=O)O.CC(C(=O)O)[C@@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
The InChIKey is ZKPNIBYEHJNKLW-QFWZMSBNSA-N. The full InChI is InChI=1S/C9H17NO4.C2H4O2/c1-5(7(11)12)6(10)8(13)14-9(2,3)4;1-2(3)4/h5-6H,10H2,1-4H3,(H,11,12);1H3,(H,3,4)/t5?,6-;/m1./s1.
What are the key properties of acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid?
acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid has a molecular weight of 263.29 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(3R)-3-amino-2-methyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid is sourced from PubChem (CID 88525633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).