(2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

C10H19NO3 — CID 66873159

IUPAC(2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@]1(CO)CCCN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-9(2,3)10(7-12)5-4-6-11(10)8(13)14/h12H,4-7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyKYVGVMFQIMYOIP-SNVBAGLBSA-N
MW201.27 g/mol
LogP1.54
Rot. Bonds1

About (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid

(2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 66873159) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID66873159
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[C@]1(CO)CCCN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-9(2,3)10(7-12)5-4-6-11(10)8(13)14/h12H,4-7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyKYVGVMFQIMYOIP-SNVBAGLBSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid (CID 66873159) is (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is CC(C)(C)[C@]1(CO)CCCN1C(=O)O.
What is the InChIKey of (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is KYVGVMFQIMYOIP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2,3)10(7-12)5-4-6-11(10)8(13)14/h12H,4-7H2,1-3H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid?
(2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 66873159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).