methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate

C9H16N2O5 — CID 59929033

IUPACmethyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate
SMILESCOC(=O)NC(C)C(=O)NC(C)C(=O)OC
InChIInChI=1S/C9H16N2O5/c1-5(11-9(14)16-4)7(12)10-6(2)8(13)15-3/h5-6H,1-4H3,(H,10,12)(H,11,14)
InChIKeyRPDQXILOVILYMP-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.59
Rot. Bonds4

About methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate

methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate (PubChem CID 59929033) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate
PubChem CID59929033
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Namemethyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate
SMILESCOC(=O)NC(C)C(=O)NC(C)C(=O)OC
InChIInChI=1S/C9H16N2O5/c1-5(11-9(14)16-4)7(12)10-6(2)8(13)15-3/h5-6H,1-4H3,(H,10,12)(H,11,14)
InChIKeyRPDQXILOVILYMP-UHFFFAOYSA-N
XLogP-0.59
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-{[(2R)-2-ammoniopropanoyl]amino}propanoate
CID 6992112
Ala-Ala-Ala
CID 5478845
{[(2S)-2-ammoniopropanoyl]amino}acetate
CID 6998028
Alanyl-alanyl-alanyl-alanine
CID 5478846
Ala-Ala zwitterion
CID 6992372
2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
D,L-Alanylglycylglycine
CID 136714
H-Ala-Ala-Ala-Ala-Ala-OH
CID 5478841
2-[2-(2-Aminopropanoylamino)propanoylamino]propanoic acid
CID 263468
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569
Alanyl-glycyl-glycine
CID 96798
CID 5242513
CID 5242513

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate?
The IUPAC name of methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate (CID 59929033) is methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate.
What is the SMILES notation for methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate?
The canonical SMILES for methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate is COC(=O)NC(C)C(=O)NC(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate?
The InChIKey is RPDQXILOVILYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-5(11-9(14)16-4)7(12)10-6(2)8(13)15-3/h5-6H,1-4H3,(H,10,12)(H,11,14).
What are the key properties of methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate?
methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate has a molecular weight of 232.24 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate is sourced from PubChem (CID 59929033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).