methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate

C7H14N2O3 — CID 124671422

IUPACmethyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
SMILESCOC(=O)CN[C@H](C)CC(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(3-6(8)10)9-4-7(11)12-2/h5,9H,3-4H2,1-2H3,(H2,8,10)/t5-/m1/s1
InChIKeyJIZSNIYFKXDWAA-RXMQYKEDSA-N
MW174.20 g/mol
LogP-0.99
Rot. Bonds5

About methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate

methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate (PubChem CID 124671422) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
PubChem CID124671422
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Namemethyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
SMILESCOC(=O)CN[C@H](C)CC(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(3-6(8)10)9-4-7(11)12-2/h5,9H,3-4H2,1-2H3,(H2,8,10)/t5-/m1/s1
InChIKeyJIZSNIYFKXDWAA-RXMQYKEDSA-N
XLogP-0.99
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-aminopropan-2-ylamino)acetate
CID 88770790
3-(ethylamino)butanamide
CID 18792210
3-(2-methylpropylamino)butanamide
CID 90751378
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
3-(propylamino)butanamide
CID 54855476
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
CID 178036338
CID 178036338
3-(cyclobutylmethylamino)butanamide
CID 115676578
3-(2-propoxyethylamino)butanamide
CID 106452583
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
methyl 3-(hydroxyamino)butanoate
CID 103282672
methyl (3S)-4-amino-3-methyl-4-oxobutanoate
CID 146955402

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate (CID 124671422) is methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate is COC(=O)CN[C@H](C)CC(N)=O.
What is the InChIKey of methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate?
The InChIKey is JIZSNIYFKXDWAA-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(3-6(8)10)9-4-7(11)12-2/h5,9H,3-4H2,1-2H3,(H2,8,10)/t5-/m1/s1.
What are the key properties of methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate?
methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate has a molecular weight of 174.20 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate is sourced from PubChem (CID 124671422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).