2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid

C10H16N2O4 — CID 61022712

IUPAC2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C10H16N2O4/c1-3-12(6-9(14)15)10(16)7-4-8(13)11(2)5-7/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyHMZMIPCAQXHDNQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.60
Rot. Bonds4

About 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid

2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 61022712) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID61022712
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC(=O)N(C)C1
InChIInChI=1S/C10H16N2O4/c1-3-12(6-9(14)15)10(16)7-4-8(13)11(2)5-7/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyHMZMIPCAQXHDNQ-UHFFFAOYSA-N
XLogP-0.60
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79280113
2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
CID 119206525
2-[(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-prop-2-enylamino]acetic acid
CID 79265147
2-[2-methoxyethyl-[(4S)-1-methyl-2-oxopiperidine-4-carbonyl]amino]acetic acid
CID 125118927
8-(dimethylamino)-N,N-diethyl-1-methyl-2-oxoazonane-4-carboxamide
CID 162798665
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
CID 119206435
(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
ethyl 2-[benzyl-[(3S)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179575
ethyl 2-[benzyl-[(3R)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]acetate
CID 95179574
2-[[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]-[2-(dimethylamino)ethyl]amino]acetic acid
CID 125151592
2-[2-(dimethylamino)ethyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 126781440
1-methyl-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119824892

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid (CID 61022712) is 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)C1CC(=O)N(C)C1.
What is the InChIKey of 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is HMZMIPCAQXHDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-12(6-9(14)15)10(16)7-4-8(13)11(2)5-7/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid?
2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 228.25 g/mol, XLogP of -0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 61022712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).