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

C11H20N2O3 — CID 83071374

IUPAC3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCCC1(C(=O)NCC(C)C(=O)O)CCCN1
InChIInChI=1S/C11H20N2O3/c1-3-11(5-4-6-13-11)10(16)12-7-8(2)9(14)15/h8,13H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyBPAXTTKNTDDVTR-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds5

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

3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 83071374) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
PubChem CID83071374
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCCC1(C(=O)NCC(C)C(=O)O)CCCN1
InChIInChI=1S/C11H20N2O3/c1-3-11(5-4-6-13-11)10(16)12-7-8(2)9(14)15/h8,13H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyBPAXTTKNTDDVTR-UHFFFAOYSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106108847
N-(2,3-dihydroxypropyl)-2-ethylpyrrolidine-2-carboxamide
CID 83072487
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071544
2-ethyl-N-(2-hydroxy-3-methoxypropyl)pyrrolidine-2-carboxamide
CID 83071549
2-[(2-ethylpyrrolidine-2-carbonyl)amino]hexanoic acid
CID 83072051
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317
2-ethyl-N-propan-2-ylsulfonylpyrrolidine-2-carboxamide
CID 103308078
2-cyclopropyl-2-[(2-ethylpyrrolidine-2-carbonyl)amino]acetic acid
CID 83071456
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
2-ethyl-N-[(3-methyloxetan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 83073298

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid (CID 83071374) is 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid is CCC1(C(=O)NCC(C)C(=O)O)CCCN1.
What is the InChIKey of 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is BPAXTTKNTDDVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-11(5-4-6-13-11)10(16)12-7-8(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-methylpropanoic acid?
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylpyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 83071374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).