2-acetamido-2-(ethylamino)acetic acid

C6H12N2O3 — CID 57245272

IUPAC2-acetamido-2-(ethylamino)acetic acid
SMILESCCNC(NC(C)=O)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3-7-5(6(10)11)8-4(2)9/h5,7H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyHSXCMQSBXPRWFP-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.86
Rot. Bonds4

About 2-acetamido-2-(ethylamino)acetic acid

2-acetamido-2-(ethylamino)acetic acid (PubChem CID 57245272) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-acetamido-2-(ethylamino)acetic acid.

Molecular Properties

Compound Name2-acetamido-2-(ethylamino)acetic acid
PubChem CID57245272
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-acetamido-2-(ethylamino)acetic acid
SMILESCCNC(NC(C)=O)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3-7-5(6(10)11)8-4(2)9/h5,7H,3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyHSXCMQSBXPRWFP-UHFFFAOYSA-N
XLogP-0.86
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-(ethylamino)acetic acid?
The IUPAC name of 2-acetamido-2-(ethylamino)acetic acid (CID 57245272) is 2-acetamido-2-(ethylamino)acetic acid.
What is the SMILES notation for 2-acetamido-2-(ethylamino)acetic acid?
The canonical SMILES for 2-acetamido-2-(ethylamino)acetic acid is CCNC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-2-(ethylamino)acetic acid?
The InChIKey is HSXCMQSBXPRWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-7-5(6(10)11)8-4(2)9/h5,7H,3H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-acetamido-2-(ethylamino)acetic acid?
2-acetamido-2-(ethylamino)acetic acid has a molecular weight of 160.17 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-(ethylamino)acetic acid is sourced from PubChem (CID 57245272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).