ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate

C13H26N2O2 — CID 83221351

IUPACethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(N)CCN1C(C)CCC1CC
InChIInChI=1S/C13H26N2O2/c1-4-11-7-6-10(3)15(11)9-8-12(14)13(16)17-5-2/h10-12H,4-9,14H2,1-3H3
InChIKeyPAHCXNARIOUQBX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.53
Rot. Bonds6

About ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate

ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate (PubChem CID 83221351) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
PubChem CID83221351
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nameethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate
SMILESCCOC(=O)C(N)CCN1C(C)CCC1CC
InChIInChI=1S/C13H26N2O2/c1-4-11-7-6-10(3)15(11)9-8-12(14)13(16)17-5-2/h10-12H,4-9,14H2,1-3H3
InChIKeyPAHCXNARIOUQBX-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83221433
ethyl 2-amino-4-(2-ethylpiperidin-1-yl)butanoate
CID 63027661
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(propylamino)butanamide
CID 83221430
2-ethyl-4-(2-ethyl-5-methylpyrrolidin-1-yl)butan-1-amine
CID 83219853
ethyl (E)-4-(2-ethyl-5-methylpyrrolidin-1-yl)but-2-enoate
CID 83220261
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
CID 83221596
ethyl 2-amino-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]butanoate
CID 104960242
ethyl 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)butanoate
CID 63635250
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
ethyl 4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 83221834
2-amino-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butanoic acid
CID 104968699
2-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]ethanamine
CID 83218882

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate?
The IUPAC name of ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate (CID 83221351) is ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate?
The canonical SMILES for ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate is CCOC(=O)C(N)CCN1C(C)CCC1CC.
What is the InChIKey of ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate?
The InChIKey is PAHCXNARIOUQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-11-7-6-10(3)15(11)9-8-12(14)13(16)17-5-2/h10-12H,4-9,14H2,1-3H3.
What are the key properties of ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate?
ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate has a molecular weight of 242.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)butanoate is sourced from PubChem (CID 83221351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).