methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate

C6H12N2O3 — CID 174668747

IUPACmethyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
SMILESCN[C@H](CC(N)=O)C(=O)OC
InChIInChI=1S/C6H12N2O3/c1-8-4(3-5(7)9)6(10)11-2/h4,8H,3H2,1-2H3,(H2,7,9)/t4-/m1/s1
InChIKeyQQJXZTIWNZMSPG-SCSAIBSYSA-N
MW160.17 g/mol
LogP-1.38
Rot. Bonds4

About methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate

methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate (PubChem CID 174668747) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
PubChem CID174668747
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Namemethyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate
SMILESCN[C@H](CC(N)=O)C(=O)OC
InChIInChI=1S/C6H12N2O3/c1-8-4(3-5(7)9)6(10)11-2/h4,8H,3H2,1-2H3,(H2,7,9)/t4-/m1/s1
InChIKeyQQJXZTIWNZMSPG-SCSAIBSYSA-N
XLogP-1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-(methylamino)-4-oxobutanethioic S-acid
CID 90274310
ethane;methyl 3-amino-2-(methylamino)propanoate
CID 142001160
CID 88890961
CID 88890961
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
methyl 4,4-dimethyl-2-(methylamino)pentanoate
CID 62949491
(3S)-4-carboxyoxy-3-(methylamino)-4-oxobutanoic acid
CID 168861286
methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate
CID 57264871
ethene;methyl 2-(methylamino)-4-oxobutanoate
CID 158257207
methyl 2-(methylamino)-4-methylsulfanylbutanoate
CID 23436119
2-(methylamino)-N-(2-oxopentan-3-yl)butanediamide
CID 58964008
methyl 4-(2-methoxyethylsulfanyl)-2-(methylamino)butanoate
CID 63033198
methyl (2S,4S)-5,5-dichloro-4-methyl-2-(methylamino)pentanoate
CID 12003943

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate?
The IUPAC name of methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate (CID 174668747) is methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate.
What is the SMILES notation for methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate?
The canonical SMILES for methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate is CN[C@H](CC(N)=O)C(=O)OC.
What is the InChIKey of methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate?
The InChIKey is QQJXZTIWNZMSPG-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-8-4(3-5(7)9)6(10)11-2/h4,8H,3H2,1-2H3,(H2,7,9)/t4-/m1/s1.
What are the key properties of methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate?
methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate has a molecular weight of 160.17 g/mol, XLogP of -1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-amino-2-(methylamino)-4-oxobutanoate is sourced from PubChem (CID 174668747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).