2-[[(E)-pent-2-en-2-yl]amino]acetic acid

C7H13NO2 — CID 155297764

IUPAC2-[[(E)-pent-2-en-2-yl]amino]acetic acid
SMILESCC/C=C(\C)NCC(=O)O
InChIInChI=1S/C7H13NO2/c1-3-4-6(2)8-5-7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10)/b6-4+
InChIKeyPIZMTUFAMIDJDR-GQCTYLIASA-N
MW143.19 g/mol
LogP0.97
Rot. Bonds4

About 2-[[(E)-pent-2-en-2-yl]amino]acetic acid

2-[[(E)-pent-2-en-2-yl]amino]acetic acid (PubChem CID 155297764) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-[[(E)-pent-2-en-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-pent-2-en-2-yl]amino]acetic acid
PubChem CID155297764
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-[[(E)-pent-2-en-2-yl]amino]acetic acid
SMILESCC/C=C(\C)NCC(=O)O
InChIInChI=1S/C7H13NO2/c1-3-4-6(2)8-5-7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10)/b6-4+
InChIKeyPIZMTUFAMIDJDR-GQCTYLIASA-N
XLogP0.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
ethane;2-(2-oxopropanoylamino)acetic acid
CID 143031622
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
[(E)-pent-2-en-2-yl]urea
CID 71773699
2-[[2-[(4-ethoxy-4-oxobut-2-en-2-yl)amino]acetyl]amino]acetic acid
CID 74053756
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
2-acetamidoacetic acid;dihydroxy(oxo)phosphanium
CID 87990829
2-[[2-(pentanoylamino)acetyl]amino]acetic acid
CID 43387772
2-(2,2-diethylbutanoylamino)acetic acid
CID 88907471
CID 158703292
CID 158703292
2-(oxaldehydoylamino)acetic acid
CID 18960539
3-propylidenehexanedioic acid
CID 91172296

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-pent-2-en-2-yl]amino]acetic acid?
The IUPAC name of 2-[[(E)-pent-2-en-2-yl]amino]acetic acid (CID 155297764) is 2-[[(E)-pent-2-en-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-pent-2-en-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-pent-2-en-2-yl]amino]acetic acid is CC/C=C(\C)NCC(=O)O.
What is the InChIKey of 2-[[(E)-pent-2-en-2-yl]amino]acetic acid?
The InChIKey is PIZMTUFAMIDJDR-GQCTYLIASA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-6(2)8-5-7(9)10/h4,8H,3,5H2,1-2H3,(H,9,10)/b6-4+.
What are the key properties of 2-[[(E)-pent-2-en-2-yl]amino]acetic acid?
2-[[(E)-pent-2-en-2-yl]amino]acetic acid has a molecular weight of 143.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-pent-2-en-2-yl]amino]acetic acid is sourced from PubChem (CID 155297764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).