2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid

C8H13NO4 — CID 61455785

IUPAC2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
SMILESCOCCN(C(=O)C(=O)O)C1CC1
InChIInChI=1S/C8H13NO4/c1-13-5-4-9(6-2-3-6)7(10)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyMBYFJVGHFDSISG-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.29
Rot. Bonds4

About 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid

2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid (PubChem CID 61455785) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
PubChem CID61455785
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
SMILESCOCCN(C(=O)C(=O)O)C1CC1
InChIInChI=1S/C8H13NO4/c1-13-5-4-9(6-2-3-6)7(10)8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyMBYFJVGHFDSISG-UHFFFAOYSA-N
XLogP-0.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
N-cyclopropyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60948031
4-[(1,1-dioxothiolan-3-yl)-(2-methoxyethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992822
2-amino-N-cyclopropyl-N-(2-methoxyethyl)butanamide
CID 60947245
N-cyclopropyl-4-hydroxy-N-(2-methoxyethyl)butanamide
CID 79203731
N-cyclopropyl-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 115589086
3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 61452624
2-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81084471
N-cyclopropyl-N-(2-methoxyethyl)-2-methylpyrrolidine-3-carboxamide
CID 79389096
3-amino-N-cyclopropyl-2-methoxy-N-(2-methoxyethyl)propanamide
CID 106112093
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
2-amino-N-cyclopropyl-N-(2-methoxyethyl)pentanamide
CID 60947244

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid (CID 61455785) is 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid is COCCN(C(=O)C(=O)O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid?
The InChIKey is MBYFJVGHFDSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-13-5-4-9(6-2-3-6)7(10)8(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid?
2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid has a molecular weight of 187.19 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 61455785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).