(2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid

C9H17NO2 — CID 11829903

IUPAC(2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[C@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C9H17NO2/c1-9(2,3)7-5-4-6(10-7)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyARIXRQYKVWBGSB-NKWVEPMBSA-N
MW171.24 g/mol
LogP1.24
Rot. Bonds1

About (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid

(2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid (PubChem CID 11829903) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid
PubChem CID11829903
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid
SMILESCC(C)(C)[C@H]1CC[C@@H](C(=O)O)N1
InChIInChI=1S/C9H17NO2/c1-9(2,3)7-5-4-6(10-7)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
InChIKeyARIXRQYKVWBGSB-NKWVEPMBSA-N
XLogP1.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R,5R)-3-(3-boronopropyl)-5-methylpyrrolidine-2-carboxylic acid
CID 155793084
(2S,3R)-3-(3-boronopropyl)-3-methylpyrrolidine-2-carboxylic acid
CID 155793126
5-Ethylpyrrolidine-2-carboxylic acid hydrochloride
CID 89524767
2-Azaspiro[4.4]nonane-3-carboxylic acid hydrochloride
CID 137964495
2-(2-Pyrrolidin-2-ylethyl)decanoic acid
CID 156011574
5,5-dimethylpyrrolidine-2-carboxylic Acid
CID 11789318
2-Azaspiro[4.5]decane-3-carboxylic acid hydrochloride
CID 71318826
2-(3,3-Dimethylbutyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 145874790
2-Azaspiro(4.4)nonane-1-carboxylic acid hydrochloride
CID 145912909
(4R)-4-Propyl-L-proline
CID 14311266
(2S,5S)-5-((S)-1-Carboxyethyl)pyrrolidine-2-carboxylic acid
CID 45381064
(2S,5S)-5-((R)-1-Carboxypropyl)pyrrolidine-2-carboxylic acid
CID 45381175

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid (CID 11829903) is (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid is CC(C)(C)[C@H]1CC[C@@H](C(=O)O)N1.
What is the InChIKey of (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid?
The InChIKey is ARIXRQYKVWBGSB-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)7-5-4-6(10-7)8(11)12/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m0/s1.
What are the key properties of (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid?
(2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-tert-butylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 11829903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).