(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid

C8H15NO3 — CID 147425370

IUPAC(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCCC1O
InChIInChI=1S/C8H15NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyDTHFTJILDAERGG-PKPIPKONSA-N
MW173.21 g/mol
LogP0.26
Rot. Bonds3

About (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid

(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid (PubChem CID 147425370) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid
PubChem CID147425370
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCCC1O
InChIInChI=1S/C8H15NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7?/m0/s1
InChIKeyDTHFTJILDAERGG-PKPIPKONSA-N
XLogP0.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butanoic acid
CID 129498272
2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid
CID 121201708
2-(2-carbamothioylpiperidin-1-yl)butanoic acid
CID 64662154
(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
CID 129495909
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid
CID 79552951
2-[2-[(tert-butylamino)methyl]piperidin-1-yl]butanoic acid
CID 64660794
2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
CID 103519870
1-[2-(4-chlorophenyl)pent-1-en-3-yl]pyrrolidin-2-ol
CID 142988298
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid
CID 64660796
2-(azocan-1-yl)butanoic acid
CID 43808973
2-(3-methyl-2-oxopiperidin-1-yl)butanoic acid
CID 174664604

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid?
The IUPAC name of (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid (CID 147425370) is (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid?
The canonical SMILES for (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid is CC[C@@H](C(=O)O)N1CCCC1O.
What is the InChIKey of (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid?
The InChIKey is DTHFTJILDAERGG-PKPIPKONSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6-7,10H,2-5H2,1H3,(H,11,12)/t6-,7?/m0/s1.
What are the key properties of (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid?
(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 147425370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).