2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid

C11H20N2O3 — CID 62819730

IUPAC2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C1CCCN1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-13(11(2,3)10(15)16)9(14)8-6-5-7-12-8/h8,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyNXGKGZWHJMMEPJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds4

About 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid

2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62819730) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62819730
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid
SMILESCCN(C(=O)C1CCCN1)C(C)(C)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-4-13(11(2,3)10(15)16)9(14)8-6-5-7-12-8/h8,12H,4-7H2,1-3H3,(H,15,16)
InChIKeyNXGKGZWHJMMEPJ-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-diethylpyrrolidine-2-carboxamide
CID 952316
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
1-[(2S)-pyrrolidin-2-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 46863476
N,N-dimethylpyrrolidine-2-carboxamide
CID 14282308
N-ethyl-N-(2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 53410858
(2S)-N-methyl-N-propylpyrrolidine-2-carboxamide
CID 54558702
2-[ethyl-[(2R)-piperidine-2-carbonyl]amino]acetic acid
CID 104913780
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
(2R)-N-ethyl-N-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 93267754
(2R)-N-ethyl-N-(2-methylbutyl)pyrrolidine-2-carboxamide
CID 103797895
(2S)-N,N-dimethylpyrrolidine-2-carboxamide;molecular hydrogen
CID 143692131
(2R)-N-tert-butyl-N-methylpiperidine-2-carboxamide
CID 130877800

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid (CID 62819730) is 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid is CCN(C(=O)C1CCCN1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is NXGKGZWHJMMEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-13(11(2,3)10(15)16)9(14)8-6-5-7-12-8/h8,12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(pyrrolidine-2-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62819730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).