(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid

C8H16N2O2 — CID 134539674

IUPAC(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid
SMILESCC[C@@]1(CN)CCCN1C(=O)O
InChIInChI=1S/C8H16N2O2/c1-2-8(6-9)4-3-5-10(8)7(11)12/h2-6,9H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyPAYPHFFBHUMVOB-QMMMGPOBSA-N
MW172.23 g/mol
LogP0.87
Rot. Bonds2

About (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid

(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid (PubChem CID 134539674) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid
PubChem CID134539674
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid
SMILESCC[C@@]1(CN)CCCN1C(=O)O
InChIInChI=1S/C8H16N2O2/c1-2-8(6-9)4-3-5-10(8)7(11)12/h2-6,9H2,1H3,(H,11,12)/t8-/m0/s1
InChIKeyPAYPHFFBHUMVOB-QMMMGPOBSA-N
XLogP0.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(aminomethyl)-2-propylpyrrolidine-1-carboxylic acid
CID 134540089
1-(2,2-diethylpyrrolidin-1-yl)ethanone
CID 45086484
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
(2R)-2-(aminomethyl)-2-tert-butylpiperidine-1-carboxylic acid
CID 66593969
cyclobutyl-(2,2-diethylpyrrolidin-1-yl)methanone
CID 167927925
1-[1-(aminomethyl)cyclopropanecarbonyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83071100
1-(2-aminoacetyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070500
tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 119030894
1-(3-aminopropanoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83071327
2-tert-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carboxylic acid
CID 166651726
ethane;(2-ethyl-1-methylpyrrolidin-2-yl)methanol
CID 170726282
1-(1-aminocyclopropanecarbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070879

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid (CID 134539674) is (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid is CC[C@@]1(CN)CCCN1C(=O)O.
What is the InChIKey of (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid?
The InChIKey is PAYPHFFBHUMVOB-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-8(6-9)4-3-5-10(8)7(11)12/h2-6,9H2,1H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid?
(2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid has a molecular weight of 172.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)-2-ethylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 134539674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).