methyl 2-(3-acetamidopropanoylamino)acetate

C8H14N2O4 — CID 43404724

IUPACmethyl 2-(3-acetamidopropanoylamino)acetate
SMILESCOC(=O)CNC(=O)CCNC(C)=O
InChIInChI=1S/C8H14N2O4/c1-6(11)9-4-3-7(12)10-5-8(13)14-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKeySASHJKKSJZPXJG-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.20
Rot. Bonds5

About methyl 2-(3-acetamidopropanoylamino)acetate

methyl 2-(3-acetamidopropanoylamino)acetate (PubChem CID 43404724) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-(3-acetamidopropanoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(3-acetamidopropanoylamino)acetate
PubChem CID43404724
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl 2-(3-acetamidopropanoylamino)acetate
SMILESCOC(=O)CNC(=O)CCNC(C)=O
InChIInChI=1S/C8H14N2O4/c1-6(11)9-4-3-7(12)10-5-8(13)14-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKeySASHJKKSJZPXJG-UHFFFAOYSA-N
XLogP-1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 3-(ethoxycarbonylmethylamino)-3-oxopropionate
CID 533946
Methyl (propionylamino)acetate
CID 533879
Isobutyrylglycine, methyl ester
CID 4467317
N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
2-(3-Acetamidopropanamido)acetic acid
CID 43354347
Methyl 3-[(2-methoxy-2-oxoacetyl)amino]-2-methylpropanoate
CID 44322927
Ethyl 3-[(2-methoxy-2-oxoacetyl)amino]propanoate
CID 44322929
N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
CID 541978
Ethyl 2-propanamidoacetate
CID 3320103
Glycine, N-pivaloyl-, methyl ester
CID 531532
Butyrylamino-acetic acid methyl ester
CID 4777936

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetamidopropanoylamino)acetate?
The IUPAC name of methyl 2-(3-acetamidopropanoylamino)acetate (CID 43404724) is methyl 2-(3-acetamidopropanoylamino)acetate.
What is the SMILES notation for methyl 2-(3-acetamidopropanoylamino)acetate?
The canonical SMILES for methyl 2-(3-acetamidopropanoylamino)acetate is COC(=O)CNC(=O)CCNC(C)=O.
What is the InChIKey of methyl 2-(3-acetamidopropanoylamino)acetate?
The InChIKey is SASHJKKSJZPXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-6(11)9-4-3-7(12)10-5-8(13)14-2/h3-5H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of methyl 2-(3-acetamidopropanoylamino)acetate?
methyl 2-(3-acetamidopropanoylamino)acetate has a molecular weight of 202.21 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetamidopropanoylamino)acetate is sourced from PubChem (CID 43404724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).