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

C10H17N3O5 — CID 134741415

IUPACmethyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)CNC(=O)CNC(C)=O
InChIInChI=1S/C10H17N3O5/c1-6(10(17)18-3)13-9(16)5-12-8(15)4-11-7(2)14/h6H,4-5H2,1-3H3,(H,11,14)(H,12,15)(H,13,16)/t6-/m1/s1
InChIKeyJLSJNENSAQOMOY-ZCFIWIBFSA-N
MW259.26 g/mol
LogP-2.08
Rot. Bonds6

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

methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate (PubChem CID 134741415) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
PubChem CID134741415
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Namemethyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)[C@@H](C)NC(=O)CNC(=O)CNC(C)=O
InChIInChI=1S/C10H17N3O5/c1-6(10(17)18-3)13-9(16)5-12-8(15)4-11-7(2)14/h6H,4-5H2,1-3H3,(H,11,14)(H,12,15)(H,13,16)/t6-/m1/s1
InChIKeyJLSJNENSAQOMOY-ZCFIWIBFSA-N
XLogP-2.08
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 71358548
methyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]propanoate
CID 23278807
methyl 2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]propanoate
CID 82961827
methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoate
CID 11821341
methyl (2R)-2-acetamidopropanoate
CID 6951031
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
dimethyl 2-[[2-[[2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 46833858
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate?
The IUPAC name of methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate (CID 134741415) is methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate?
The canonical SMILES for methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate is COC(=O)[C@@H](C)NC(=O)CNC(=O)CNC(C)=O.
What is the InChIKey of methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate?
The InChIKey is JLSJNENSAQOMOY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-6(10(17)18-3)13-9(16)5-12-8(15)4-11-7(2)14/h6H,4-5H2,1-3H3,(H,11,14)(H,12,15)(H,13,16)/t6-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate?
methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate has a molecular weight of 259.26 g/mol, XLogP of -2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate is sourced from PubChem (CID 134741415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).