2-(1-cyclopropylethylamino)-2-oxoacetic acid

C7H11NO3 — CID 43533725

IUPAC2-(1-cyclopropylethylamino)-2-oxoacetic acid
SMILESCC(NC(=O)C(=O)O)C1CC1
InChIInChI=1S/C7H11NO3/c1-4(5-2-3-5)8-6(9)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyPAUXBSNMAHDYBK-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.01
Rot. Bonds2

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

2-(1-cyclopropylethylamino)-2-oxoacetic acid (PubChem CID 43533725) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)-2-oxoacetic acid
PubChem CID43533725
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-(1-cyclopropylethylamino)-2-oxoacetic acid
SMILESCC(NC(=O)C(=O)O)C1CC1
InChIInChI=1S/C7H11NO3/c1-4(5-2-3-5)8-6(9)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyPAUXBSNMAHDYBK-UHFFFAOYSA-N
XLogP-0.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.01
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-cyclobutylethylamino)-2-oxoacetic acid
CID 104768741
N-[1-(4-hydroxycyclohexyl)ethyl]-2-methylprop-2-enamide
CID 178173996
N-(2-aminoethyl)-N'-(1-cyclopropylethyl)oxamide
CID 43533108
2-(1-cyclopropylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790933
2-oxo-2-(propan-2-ylamino)acetic acid
CID 7183008
N-(1-cyclobutylethyl)acetamide
CID 115769098
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
2-(1-cyclopropylethylcarbamoylamino)-2-ethylbutanoic acid
CID 79804143
(1S,6R)-6-(1-cyclopropylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962000
(2R)-2-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 39968398

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)-2-oxoacetic acid?
The IUPAC name of 2-(1-cyclopropylethylamino)-2-oxoacetic acid (CID 43533725) is 2-(1-cyclopropylethylamino)-2-oxoacetic acid.
What is the SMILES notation for 2-(1-cyclopropylethylamino)-2-oxoacetic acid?
The canonical SMILES for 2-(1-cyclopropylethylamino)-2-oxoacetic acid is CC(NC(=O)C(=O)O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylamino)-2-oxoacetic acid?
The InChIKey is PAUXBSNMAHDYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(5-2-3-5)8-6(9)7(10)11/h4-5H,2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-(1-cyclopropylethylamino)-2-oxoacetic acid?
2-(1-cyclopropylethylamino)-2-oxoacetic acid has a molecular weight of 157.17 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)-2-oxoacetic acid is sourced from PubChem (CID 43533725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).