2-(1-cyclobutylethylamino)-2-oxoacetic acid

C8H13NO3 — CID 104768741

IUPAC2-(1-cyclobutylethylamino)-2-oxoacetic acid
SMILESCC(NC(=O)C(=O)O)C1CCC1
InChIInChI=1S/C8H13NO3/c1-5(6-3-2-4-6)9-7(10)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyRTKHYMAPIMQDLK-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds2

About 2-(1-cyclobutylethylamino)-2-oxoacetic acid

2-(1-cyclobutylethylamino)-2-oxoacetic acid (PubChem CID 104768741) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(1-cyclobutylethylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(1-cyclobutylethylamino)-2-oxoacetic acid
PubChem CID104768741
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(1-cyclobutylethylamino)-2-oxoacetic acid
SMILESCC(NC(=O)C(=O)O)C1CCC1
InChIInChI=1S/C8H13NO3/c1-5(6-3-2-4-6)9-7(10)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyRTKHYMAPIMQDLK-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725
N-(1-cyclobutylethyl)acetamide
CID 115769098
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
1-(1-cyclobutylethyl)-3-cyclopropylurea
CID 115766433
3-(1-cyclobutylethyl)-1,1-dimethylurea
CID 115766548
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
(2R)-2-(1-cyclobutylethylcarbamoylamino)-3-methylbutanoic acid
CID 104871393
2-[[(1R)-1-cyclopentylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103979033
2-oxo-2-(propan-2-ylamino)acetic acid
CID 7183008
(2S)-2-(1-cyclobutylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 104871385
(2R)-2-(1-cyclobutylethylcarbamoylamino)butanedioic acid
CID 104871392
N-(1-cyclobutylethyl)-2-propan-2-yloxyacetamide
CID 115769012

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylethylamino)-2-oxoacetic acid?
The IUPAC name of 2-(1-cyclobutylethylamino)-2-oxoacetic acid (CID 104768741) is 2-(1-cyclobutylethylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(1-cyclobutylethylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(1-cyclobutylethylamino)-2-oxoacetic acid is CC(NC(=O)C(=O)O)C1CCC1.
What is the InChIKey of 2-(1-cyclobutylethylamino)-2-oxoacetic acid?
The InChIKey is RTKHYMAPIMQDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(6-3-2-4-6)9-7(10)8(11)12/h5-6H,2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-(1-cyclobutylethylamino)-2-oxoacetic acid?
2-(1-cyclobutylethylamino)-2-oxoacetic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylethylamino)-2-oxoacetic acid is sourced from PubChem (CID 104768741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).