2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid

C10H19NO3 — CID 174164548

IUPAC2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid
SMILESCCC(C)N1CC[C@H](O)[C@H]1CC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-7(2)11-5-4-9(12)8(11)6-10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t7?,8-,9+/m1/s1
InChIKeyDUMAPQVKAURRFH-ASODMVGOSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds4

About 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid

2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid (PubChem CID 174164548) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid
PubChem CID174164548
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid
SMILESCCC(C)N1CC[C@H](O)[C@H]1CC(=O)O
InChIInChI=1S/C10H19NO3/c1-3-7(2)11-5-4-9(12)8(11)6-10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t7?,8-,9+/m1/s1
InChIKeyDUMAPQVKAURRFH-ASODMVGOSA-N
XLogP0.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid (CID 174164548) is 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid is CCC(C)N1CC[C@H](O)[C@H]1CC(=O)O.
What is the InChIKey of 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid?
The InChIKey is DUMAPQVKAURRFH-ASODMVGOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-7(2)11-5-4-9(12)8(11)6-10(13)14/h7-9,12H,3-6H2,1-2H3,(H,13,14)/t7?,8-,9+/m1/s1.
What are the key properties of 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid?
2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-1-butan-2-yl-3-hydroxypyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 174164548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).