2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid

C6H11NO3 — CID 42614535

IUPAC2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@@H]1O
InChIInChI=1S/C6H11NO3/c8-5-2-1-3-7(5)4-6(9)10/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyLMUKGAUOYZHFTB-YFKPBYRVSA-N
MW145.16 g/mol
LogP-0.51
Rot. Bonds2

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

2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid (PubChem CID 42614535) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid
PubChem CID42614535
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@@H]1O
InChIInChI=1S/C6H11NO3/c8-5-2-1-3-7(5)4-6(9)10/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1
InChIKeyLMUKGAUOYZHFTB-YFKPBYRVSA-N
XLogP-0.51
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethenylpyrrolidin-1-yl)acetic acid
CID 67674478
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735
2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 59252931
2-(2-tert-butylpyrrolidin-1-yl)acetic acid
CID 67953205
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid;hydrochloride
CID 67010209
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
CID 58530414
2-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554925
1-(4-aminobutyl)pyrrolidin-2-ol
CID 101255964
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
1-(4-chlorobutyl)piperidin-2-ol
CID 53402871
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67010128

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid (CID 42614535) is 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid is O=C(O)CN1CCC[C@@H]1O.
What is the InChIKey of 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid?
The InChIKey is LMUKGAUOYZHFTB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-2-1-3-7(5)4-6(9)10/h5,8H,1-4H2,(H,9,10)/t5-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid?
2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid has a molecular weight of 145.16 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 42614535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).