2-[[2-(pentanoylamino)acetyl]amino]acetic acid

C9H16N2O4 — CID 43387772

IUPAC2-[[2-(pentanoylamino)acetyl]amino]acetic acid
SMILESCCCCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H16N2O4/c1-2-3-4-7(12)10-5-8(13)11-6-9(14)15/h2-6H2,1H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyXWISJVYBNPTRGT-UHFFFAOYSA-N
MW216.24 g/mol
LogP-0.51
Rot. Bonds7

About 2-[[2-(pentanoylamino)acetyl]amino]acetic acid

2-[[2-(pentanoylamino)acetyl]amino]acetic acid (PubChem CID 43387772) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[[2-(pentanoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(pentanoylamino)acetyl]amino]acetic acid
PubChem CID43387772
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name2-[[2-(pentanoylamino)acetyl]amino]acetic acid
SMILESCCCCC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H16N2O4/c1-2-3-4-7(12)10-5-8(13)11-6-9(14)15/h2-6H2,1H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyXWISJVYBNPTRGT-UHFFFAOYSA-N
XLogP-0.51
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;2-(hexadecanoylamino)acetic acid;hydride
CID 173207705
potassium;hydride;2-(octadecanoylamino)acetic acid
CID 174739574
2-[4-(octanoylamino)butanoylamino]acetic acid
CID 170428184
2-[[(Z)-octadec-9-enoyl]amino]acetic acid
CID 6436908
2-[[(Z)-octadec-11-enoyl]amino]acetic acid
CID 135240006
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
2-[[(E)-non-5-enoyl]amino]acetic acid
CID 131802989
2-[[(9E,12E)-octadeca-9,12-dienoyl]amino]acetic acid
CID 5353808
1-[bis(1-hydroxyethyl)amino]ethanol;2-(tetradecanoylamino)acetic acid
CID 87532133
2-[[(5Z,8Z,11Z,14E)-5,6,8,9,11,12,14,15-octadeuterioicosa-5,8,11,14-tetraenoyl]amino]acetic acid
CID 171042666
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pentanoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(pentanoylamino)acetyl]amino]acetic acid (CID 43387772) is 2-[[2-(pentanoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(pentanoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(pentanoylamino)acetyl]amino]acetic acid is CCCCC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(pentanoylamino)acetyl]amino]acetic acid?
The InChIKey is XWISJVYBNPTRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O4/c1-2-3-4-7(12)10-5-8(13)11-6-9(14)15/h2-6H2,1H3,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 2-[[2-(pentanoylamino)acetyl]amino]acetic acid?
2-[[2-(pentanoylamino)acetyl]amino]acetic acid has a molecular weight of 216.24 g/mol, XLogP of -0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pentanoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 43387772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).