dimethyl (2R)-2-aminobutanedioate

C6H11NO4 — CID 6994535

IUPACdimethyl (2R)-2-aminobutanedioate
SMILESCOC(=O)C[C@@H](N)C(=O)OC
InChIInChI=1S/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3/t4-/m1/s1
InChIKeyBYHXBBOSJKPUJL-SCSAIBSYSA-N
MW161.16 g/mol
LogP-0.95
Rot. Bonds3

About dimethyl (2R)-2-aminobutanedioate

dimethyl (2R)-2-aminobutanedioate (PubChem CID 6994535) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is dimethyl (2R)-2-aminobutanedioate.

Molecular Properties

Compound Namedimethyl (2R)-2-aminobutanedioate
PubChem CID6994535
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namedimethyl (2R)-2-aminobutanedioate
SMILESCOC(=O)C[C@@H](N)C(=O)OC
InChIInChI=1S/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3/t4-/m1/s1
InChIKeyBYHXBBOSJKPUJL-SCSAIBSYSA-N
XLogP-0.95
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
CID 87358992
CID 59945611
CID 59945611
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl 3,3-diaminopropanoate;hydrochloride
CID 140507920
methyl (3S)-3-aminobutanoate;hydrochloride
CID 53487346
methyl 3-amino-3-hydroxypropanoate;hydrochloride
CID 87417987
methyl (2R)-2-amino-4-oxo-5-(oxo-λ5-phosphanylidyne)pentanoate
CID 154634525
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
dimethyl 2-phosphanylbutanedioate
CID 57266092
dimethyl 3,7-diamino-5-oxononanedioate
CID 57305042
methyl 3-amino-3-chloropropanoate;hydrochloride
CID 119095933

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-aminobutanedioate?
The IUPAC name of dimethyl (2R)-2-aminobutanedioate (CID 6994535) is dimethyl (2R)-2-aminobutanedioate.
What is the SMILES notation for dimethyl (2R)-2-aminobutanedioate?
The canonical SMILES for dimethyl (2R)-2-aminobutanedioate is COC(=O)C[C@@H](N)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-aminobutanedioate?
The InChIKey is BYHXBBOSJKPUJL-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3,7H2,1-2H3/t4-/m1/s1.
What are the key properties of dimethyl (2R)-2-aminobutanedioate?
dimethyl (2R)-2-aminobutanedioate has a molecular weight of 161.16 g/mol, XLogP of -0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-aminobutanedioate is sourced from PubChem (CID 6994535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).