methyl 2-[(2-acetamidoacetyl)amino]propanoate

C8H14N2O4 — CID 3128467

IUPACmethyl 2-[(2-acetamidoacetyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CNC(C)=O
InChIInChI=1S/C8H14N2O4/c1-5(8(13)14-3)10-7(12)4-9-6(2)11/h5H,4H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyJCBMQRBFKNVDDZ-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.20
Rot. Bonds4

About methyl 2-[(2-acetamidoacetyl)amino]propanoate

methyl 2-[(2-acetamidoacetyl)amino]propanoate (PubChem CID 3128467) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 2-[(2-acetamidoacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-acetamidoacetyl)amino]propanoate
PubChem CID3128467
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl 2-[(2-acetamidoacetyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)CNC(C)=O
InChIInChI=1S/C8H14N2O4/c1-5(8(13)14-3)10-7(12)4-9-6(2)11/h5H,4H2,1-3H3,(H,9,11)(H,10,12)
InChIKeyJCBMQRBFKNVDDZ-UHFFFAOYSA-N
XLogP-1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
CID 134741415
methyl 2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]propanoate
CID 82961827
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 71358548
methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 11821341
methyl (2R)-2-acetamidopropanoate
CID 6951031
methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate
CID 23278807
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
methyl (2S)-2-[[2-[(2-cyano-2-methylpropanoyl)amino]acetyl]amino]propanoate
CID 154717709
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
CID 60687311
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
CID 119781285
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
methyl (2S)-2-(4-hydroxypentanoylamino)propanoate
CID 79200430

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-acetamidoacetyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-acetamidoacetyl)amino]propanoate (CID 3128467) is methyl 2-[(2-acetamidoacetyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-acetamidoacetyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-acetamidoacetyl)amino]propanoate is COC(=O)C(C)NC(=O)CNC(C)=O.
What is the InChIKey of methyl 2-[(2-acetamidoacetyl)amino]propanoate?
The InChIKey is JCBMQRBFKNVDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-5(8(13)14-3)10-7(12)4-9-6(2)11/h5H,4H2,1-3H3,(H,9,11)(H,10,12).
What are the key properties of methyl 2-[(2-acetamidoacetyl)amino]propanoate?
methyl 2-[(2-acetamidoacetyl)amino]propanoate has a molecular weight of 202.21 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-acetamidoacetyl)amino]propanoate is sourced from PubChem (CID 3128467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).