3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid

C11H20N2O4 — CID 106108847

IUPAC3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
SMILESCCC1(C(=O)NCC(OC)C(=O)O)CCCN1
InChIInChI=1S/C11H20N2O4/c1-3-11(5-4-6-13-11)10(16)12-7-8(17-2)9(14)15/h8,13H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyIRQGHMNJUVSDBR-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.27
Rot. Bonds6

About 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid

3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid (PubChem CID 106108847) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
PubChem CID106108847
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
SMILESCCC1(C(=O)NCC(OC)C(=O)O)CCCN1
InChIInChI=1S/C11H20N2O4/c1-3-11(5-4-6-13-11)10(16)12-7-8(17-2)9(14)15/h8,13H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyIRQGHMNJUVSDBR-UHFFFAOYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
CID 83071374
2-ethyl-N-(2-hydroxy-3-methoxypropyl)pyrrolidine-2-carboxamide
CID 83071549
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071544
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
methyl (2S)-2-[(2-ethylpyrrolidine-2-carbonyl)amino]-3-methylbutanoate
CID 83071488
2-ethyl-N-(4-methoxybutan-2-yl)pyrrolidine-2-carboxamide
CID 83071390
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 83072051

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid (CID 106108847) is 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid is CCC1(C(=O)NCC(OC)C(=O)O)CCCN1.
What is the InChIKey of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid?
The InChIKey is IRQGHMNJUVSDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-11(5-4-6-13-11)10(16)12-7-8(17-2)9(14)15/h8,13H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid?
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).