5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid

C8H14N2O4 — CID 43529039

IUPAC5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESCNC(=O)CNC(=O)CCCC(=O)O
InChIInChI=1S/C8H14N2O4/c1-9-7(12)5-10-6(11)3-2-4-8(13)14/h2-5H2,1H3,(H,9,12)(H,10,11)(H,13,14)
InChIKeyWFYSAAOOIAKQES-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.90
Rot. Bonds6

About 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid

5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid (PubChem CID 43529039) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
PubChem CID43529039
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
SMILESCNC(=O)CNC(=O)CCCC(=O)O
InChIInChI=1S/C8H14N2O4/c1-9-7(12)5-10-6(11)3-2-4-8(13)14/h2-5H2,1H3,(H,9,12)(H,10,11)(H,13,14)
InChIKeyWFYSAAOOIAKQES-UHFFFAOYSA-N
XLogP-0.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 10798751
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
5-[[2-(tert-butylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 115356094
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
CID 89108194
(E)-4-[[2-(methylamino)-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 43529042
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 134550363
CID 87067075
CID 87067075
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid (CID 43529039) is 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid is CNC(=O)CNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
The InChIKey is WFYSAAOOIAKQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-9-7(12)5-10-6(11)3-2-4-8(13)14/h2-5H2,1H3,(H,9,12)(H,10,11)(H,13,14).
What are the key properties of 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid?
5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid has a molecular weight of 202.21 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 43529039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).