methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate

C10H18N2O4 — CID 60521395

IUPACmethyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
SMILESCCCC(=O)NCC(=O)NCCC(=O)OC
InChIInChI=1S/C10H18N2O4/c1-3-4-8(13)12-7-9(14)11-6-5-10(15)16-2/h3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyTWPPAPAFQGNTFB-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.42
Rot. Bonds7

About methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate

methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate (PubChem CID 60521395) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
PubChem CID60521395
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 3-[[2-(butanoylamino)acetyl]amino]propanoate
SMILESCCCC(=O)NCC(=O)NCCC(=O)OC
InChIInChI=1S/C10H18N2O4/c1-3-4-8(13)12-7-9(14)11-6-5-10(15)16-2/h3-7H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyTWPPAPAFQGNTFB-UHFFFAOYSA-N
XLogP-0.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
methyl 4-[[2-(octanoylamino)acetyl]amino]butanoate
CID 146388718
potassium;hydride;methyl 3-(dodecanoylamino)propanoate
CID 174895394
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438
N-[2-[2-(ethylamino)ethylamino]-2-oxoethyl]butanamide;hydrochloride
CID 119508003
methyl 4-[[3-(butylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 159597212
N-[3-(2-methoxyethylamino)-3-oxopropyl]butanamide
CID 115590611
N-[2-(butanoylamino)ethyl]-N'-[2-(methylamino)-2-oxoethyl]butanediamide
CID 176888939
N-[2-[2-[2-[2-[3-[[2-[[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 170214750
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate (CID 60521395) is methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate is CCCC(=O)NCC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate?
The InChIKey is TWPPAPAFQGNTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-4-8(13)12-7-9(14)11-6-5-10(15)16-2/h3-7H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate?
methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate has a molecular weight of 230.26 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(butanoylamino)acetyl]amino]propanoate is sourced from PubChem (CID 60521395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).