ethane;2-(2-oxopropanoylamino)acetic acid

C7H13NO4 — CID 143031622

IUPACethane;2-(2-oxopropanoylamino)acetic acid
SMILESCC.CC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C5H7NO4.C2H6/c1-3(7)5(10)6-2-4(8)9;1-2/h2H2,1H3,(H,6,10)(H,8,9);1-2H3
InChIKeyBKXYZGWAYBZLMQ-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.20
Rot. Bonds3

About ethane;2-(2-oxopropanoylamino)acetic acid

ethane;2-(2-oxopropanoylamino)acetic acid (PubChem CID 143031622) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is ethane;2-(2-oxopropanoylamino)acetic acid.

Molecular Properties

Compound Nameethane;2-(2-oxopropanoylamino)acetic acid
PubChem CID143031622
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameethane;2-(2-oxopropanoylamino)acetic acid
SMILESCC.CC(=O)C(=O)NCC(=O)O
InChIInChI=1S/C5H7NO4.C2H6/c1-3(7)5(10)6-2-4(8)9;1-2/h2H2,1H3,(H,6,10)(H,8,9);1-2H3
InChIKeyBKXYZGWAYBZLMQ-UHFFFAOYSA-N
XLogP-0.20
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
2-(oxamoylamino)acetic acid
CID 55281663
2-(carboxymethylamino)-2-oxoacetic acid;ethene
CID 142170274
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
2-acetamidoacetic acid;dihydroxy(oxo)phosphanium
CID 87990829
2-oxo-N-propylpropanamide
CID 13291521
2-[[(E)-pent-2-en-2-yl]amino]acetic acid
CID 155297764
2-aminoacetic acid;2-(ethanethioylamino)acetic acid
CID 174585763
2-(carbamoylamino)acetic acid
CID 87288569
2-(carboxymethylcarbamothioylamino)acetic acid
CID 22218994
2-[[2-(diacetylamino)acetyl]amino]acetic acid
CID 87300850
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-oxopropanoylamino)acetic acid?
The IUPAC name of ethane;2-(2-oxopropanoylamino)acetic acid (CID 143031622) is ethane;2-(2-oxopropanoylamino)acetic acid.
What is the SMILES notation for ethane;2-(2-oxopropanoylamino)acetic acid?
The canonical SMILES for ethane;2-(2-oxopropanoylamino)acetic acid is CC.CC(=O)C(=O)NCC(=O)O.
What is the InChIKey of ethane;2-(2-oxopropanoylamino)acetic acid?
The InChIKey is BKXYZGWAYBZLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4.C2H6/c1-3(7)5(10)6-2-4(8)9;1-2/h2H2,1H3,(H,6,10)(H,8,9);1-2H3.
What are the key properties of ethane;2-(2-oxopropanoylamino)acetic acid?
ethane;2-(2-oxopropanoylamino)acetic acid has a molecular weight of 175.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-oxopropanoylamino)acetic acid is sourced from PubChem (CID 143031622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).