methyl 2-(1-aminopropan-2-ylamino)acetate

C6H14N2O2 — CID 88770790

IUPACmethyl 2-(1-aminopropan-2-ylamino)acetate
SMILESCOC(=O)CNC(C)CN
InChIInChI=1S/C6H14N2O2/c1-5(3-7)8-4-6(9)10-2/h5,8H,3-4,7H2,1-2H3
InChIKeyCYWLMILXQQMLIW-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.90
Rot. Bonds4

About methyl 2-(1-aminopropan-2-ylamino)acetate

methyl 2-(1-aminopropan-2-ylamino)acetate (PubChem CID 88770790) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 2-(1-aminopropan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1-aminopropan-2-ylamino)acetate
PubChem CID88770790
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namemethyl 2-(1-aminopropan-2-ylamino)acetate
SMILESCOC(=O)CNC(C)CN
InChIInChI=1S/C6H14N2O2/c1-5(3-7)8-4-6(9)10-2/h5,8H,3-4,7H2,1-2H3
InChIKeyCYWLMILXQQMLIW-UHFFFAOYSA-N
XLogP-0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(2R)-4-amino-4-oxobutan-2-yl]amino]acetate
CID 124671422
methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
CID 65229564
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
methyl 3-(hydroxyamino)butanoate
CID 103282672
methyl 3-(aminomethyl)-4-methylpentanoate
CID 66096191
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
CID 103390839
N-[2-(1-aminopropan-2-ylamino)ethyl]acetamide
CID 103387588
methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
CID 43116573
methyl (3R)-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54023912
alumane;methyl 3-oxobutanoate;bis(propan-2-ol)
CID 174389281
N-[(2R)-1-aminopropan-2-yl]-2-methoxypropanamide
CID 104873046
methyl 2-(2-aminopropylamino)acetate
CID 54010376

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminopropan-2-ylamino)acetate?
The IUPAC name of methyl 2-(1-aminopropan-2-ylamino)acetate (CID 88770790) is methyl 2-(1-aminopropan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(1-aminopropan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(1-aminopropan-2-ylamino)acetate is COC(=O)CNC(C)CN.
What is the InChIKey of methyl 2-(1-aminopropan-2-ylamino)acetate?
The InChIKey is CYWLMILXQQMLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-5(3-7)8-4-6(9)10-2/h5,8H,3-4,7H2,1-2H3.
What are the key properties of methyl 2-(1-aminopropan-2-ylamino)acetate?
methyl 2-(1-aminopropan-2-ylamino)acetate has a molecular weight of 146.19 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminopropan-2-ylamino)acetate is sourced from PubChem (CID 88770790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).