2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid

C11H20N2O4 — CID 102783342

IUPAC2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(C)C1CO
InChIInChI=1S/C11H20N2O4/c1-3-12(6-10(15)16)11(17)13-5-4-8(2)9(13)7-14/h8-9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyAHIXSNTXMPYCTM-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.22
Rot. Bonds4

About 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid

2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid (PubChem CID 102783342) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
PubChem CID102783342
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)N1CCC(C)C1CO
InChIInChI=1S/C11H20N2O4/c1-3-12(6-10(15)16)11(17)13-5-4-8(2)9(13)7-14/h8-9,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyAHIXSNTXMPYCTM-UHFFFAOYSA-N
XLogP0.22
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid
CID 102783156
2-[(2,4-dimethylpiperidine-1-carbonyl)-ethylamino]acetic acid
CID 62331670
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoacetic acid
CID 102784452
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781591
1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102738499
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61216523
2-amino-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butan-1-one
CID 102780574
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 102738593
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 102783165

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid (CID 102783342) is 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)N1CCC(C)C1CO.
What is the InChIKey of 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid?
The InChIKey is AHIXSNTXMPYCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-12(6-10(15)16)11(17)13-5-4-8(2)9(13)7-14/h8-9,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid?
2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid has a molecular weight of 244.29 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 102783342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).