(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid

C10H19NO3 — CID 139389191

IUPAC(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)C[C@H](CCCO)CN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2)6-8(4-3-5-12)7-11(10)9(13)14/h8,12H,3-7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyRXOHDQQWGDAABG-QMMMGPOBSA-N
MW201.27 g/mol
LogP1.54
Rot. Bonds3

About (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid

(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid (PubChem CID 139389191) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid
PubChem CID139389191
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid
SMILESCC1(C)C[C@H](CCCO)CN1C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2)6-8(4-3-5-12)7-11(10)9(13)14/h8,12H,3-7H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyRXOHDQQWGDAABG-QMMMGPOBSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid?
The IUPAC name of (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid (CID 139389191) is (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid is CC1(C)C[C@H](CCCO)CN1C(=O)O.
What is the InChIKey of (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid?
The InChIKey is RXOHDQQWGDAABG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)6-8(4-3-5-12)7-11(10)9(13)14/h8,12H,3-7H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid?
(4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-hydroxypropyl)-2,2-dimethylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 139389191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).