2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid

C7H13NO3 — CID 19746236

IUPAC2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid
SMILESCCN(C(=O)C(=O)O)C(C)C
InChIInChI=1S/C7H13NO3/c1-4-8(5(2)3)6(9)7(10)11/h5H,4H2,1-3H3,(H,10,11)
InChIKeyBSWGDHIHDLVUFP-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.33
Rot. Bonds2

About 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid

2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid (PubChem CID 19746236) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid
PubChem CID19746236
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid
SMILESCCN(C(=O)C(=O)O)C(C)C
InChIInChI=1S/C7H13NO3/c1-4-8(5(2)3)6(9)7(10)11/h5H,4H2,1-3H3,(H,10,11)
InChIKeyBSWGDHIHDLVUFP-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid (CID 19746236) is 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid is CCN(C(=O)C(=O)O)C(C)C.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid?
The InChIKey is BSWGDHIHDLVUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-8(5(2)3)6(9)7(10)11/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid?
2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid has a molecular weight of 159.18 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]-2-oxoacetic acid is sourced from PubChem (CID 19746236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).