2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid

C9H17NO2 — CID 59252931

IUPAC2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
SMILESCC(C)[C@@H]1CCCN1CC(=O)O
InChIInChI=1S/C9H17NO2/c1-7(2)8-4-3-5-10(8)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyBFZDSFBDODMDDX-QMMMGPOBSA-N
MW171.24 g/mol
LogP1.19
Rot. Bonds3

About 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid

2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid (PubChem CID 59252931) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
PubChem CID59252931
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
SMILESCC(C)[C@@H]1CCCN1CC(=O)O
InChIInChI=1S/C9H17NO2/c1-7(2)8-4-3-5-10(8)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1
InChIKeyBFZDSFBDODMDDX-QMMMGPOBSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid (CID 59252931) is 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid is CC(C)[C@@H]1CCCN1CC(=O)O.
What is the InChIKey of 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid?
The InChIKey is BFZDSFBDODMDDX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)8-4-3-5-10(8)6-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid?
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid has a molecular weight of 171.24 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 59252931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).