methyl 3-[(2-aminoacetyl)amino]propanoate

C6H12N2O3 — CID 60672581

IUPACmethyl 3-[(2-aminoacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)CN
InChIInChI=1S/C6H12N2O3/c1-11-6(10)2-3-8-5(9)4-7/h2-4,7H2,1H3,(H,8,9)
InChIKeyVWHJPUHYESFWEO-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.38
Rot. Bonds4

About methyl 3-[(2-aminoacetyl)amino]propanoate

methyl 3-[(2-aminoacetyl)amino]propanoate (PubChem CID 60672581) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is methyl 3-[(2-aminoacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-aminoacetyl)amino]propanoate
PubChem CID60672581
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Namemethyl 3-[(2-aminoacetyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)CN
InChIInChI=1S/C6H12N2O3/c1-11-6(10)2-3-8-5(9)4-7/h2-4,7H2,1H3,(H,8,9)
InChIKeyVWHJPUHYESFWEO-UHFFFAOYSA-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

methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216
methyl 3-(6-aminohexanoylamino)propanoate
CID 61252126
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
methyl 3-[(3-amino-3-sulfanylidenepropanoyl)amino]propanoate
CID 61293180
methyl 3-[(4-amino-3-methylbutanoyl)amino]propanoate
CID 81087612
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
methyl 3-(3-methylsulfonylpropanoylamino)propanoate
CID 55029430
methyl 3-(carboniodidoylamino)propanoate
CID 129042204
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-aminoacetyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-aminoacetyl)amino]propanoate (CID 60672581) is methyl 3-[(2-aminoacetyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-aminoacetyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-aminoacetyl)amino]propanoate is COC(=O)CCNC(=O)CN.
What is the InChIKey of methyl 3-[(2-aminoacetyl)amino]propanoate?
The InChIKey is VWHJPUHYESFWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-11-6(10)2-3-8-5(9)4-7/h2-4,7H2,1H3,(H,8,9).
What are the key properties of methyl 3-[(2-aminoacetyl)amino]propanoate?
methyl 3-[(2-aminoacetyl)amino]propanoate 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 3-[(2-aminoacetyl)amino]propanoate is sourced from PubChem (CID 60672581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).