propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate

C15H26N4O5 — CID 166105919

IUPACpropan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate
SMILES[H]/N=C/C(=O)CCC(NC(=O)CNC(=O)CN(C)C)C(=O)OC(C)C
InChIInChI=1S/C15H26N4O5/c1-10(2)24-15(23)12(6-5-11(20)7-16)18-13(21)8-17-14(22)9-19(3)4/h7,10,12,16H,5-6,8-9H2,1-4H3,(H,17,22)(H,18,21)/b16-7+
InChIKeySRTCHSYKLYXKQO-FRKPEAEDSA-N
MW342.40 g/mol
LogP-0.90
Rot. Bonds11

About propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate

propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate (PubChem CID 166105919) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate.

Molecular Properties

Compound Namepropan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate
PubChem CID166105919
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Namepropan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate
SMILES[H]/N=C/C(=O)CCC(NC(=O)CNC(=O)CN(C)C)C(=O)OC(C)C
InChIInChI=1S/C15H26N4O5/c1-10(2)24-15(23)12(6-5-11(20)7-16)18-13(21)8-17-14(22)9-19(3)4/h7,10,12,16H,5-6,8-9H2,1-4H3,(H,17,22)(H,18,21)/b16-7+
InChIKeySRTCHSYKLYXKQO-FRKPEAEDSA-N
XLogP-0.90
TPSA128.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

propan-2-yl (2S)-2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate
CID 166106081
propan-2-yl (2S)-2-(3-hydroxypropanoylamino)-6-imino-5-oxohexanoate
CID 167015814
tert-butyl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate;toluene
CID 166106016
propan-2-yl (2S)-2-[[(2S)-3-hydroxy-2-methylpropanoyl]amino]-6-imino-5-oxohexanoate
CID 167015808
propan-2-yl (2S)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-6-imino-5-oxohexanoate
CID 166105985
tert-butyl (2S)-2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate;1,3-dimethylindole
CID 166105936
propan-2-yl (2S)-6-imino-2-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]-5-oxohexanoate
CID 167014909
1,3-dimethylindole;propan-2-yl 2-[(2-acetamidoacetyl)amino]-6-imino-5-oxohexanoate
CID 166106077
tert-butyl (2S)-2-[[2-[[2-(2-aminoethoxy)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate;2-methylpropane
CID 166076209
tert-butyl 2-[(2-acetamidoacetyl)amino]-6-imino-5-oxohexanoate
CID 166105961
propan-2-yl (2S)-6-imino-5-oxo-2-[[(2S)-2-propan-2-yloxypentanoyl]amino]hexanoate
CID 167014877
propan-2-yl (2S)-6-imino-2-[[(2S)-2-methoxypentanoyl]amino]-5-oxohexanoate
CID 167014874

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate?
The IUPAC name of propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate (CID 166105919) is propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate.
What is the SMILES notation for propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate?
The canonical SMILES for propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate is [H]/N=C/C(=O)CCC(NC(=O)CNC(=O)CN(C)C)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate?
The InChIKey is SRTCHSYKLYXKQO-FRKPEAEDSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-10(2)24-15(23)12(6-5-11(20)7-16)18-13(21)8-17-14(22)9-19(3)4/h7,10,12,16H,5-6,8-9H2,1-4H3,(H,17,22)(H,18,21)/b16-7+.
What are the key properties of propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate?
propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate has a molecular weight of 342.40 g/mol, XLogP of -0.90, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[2-[[2-(dimethylamino)acetyl]amino]acetyl]amino]-6-imino-5-oxohexanoate is sourced from PubChem (CID 166105919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).