2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid

C10H19NO3 — CID 121201708

IUPAC2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCCC1C(C)O
InChIInChI=1S/C10H19NO3/c1-3-8(10(13)14)11-6-4-5-9(11)7(2)12/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyPGZNKCXAQFWNHY-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds4

About 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid

2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid (PubChem CID 121201708) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid
PubChem CID121201708
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid
SMILESCCC(C(=O)O)N1CCCC1C(C)O
InChIInChI=1S/C10H19NO3/c1-3-8(10(13)14)11-6-4-5-9(11)7(2)12/h7-9,12H,3-6H2,1-2H3,(H,13,14)
InChIKeyPGZNKCXAQFWNHY-UHFFFAOYSA-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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Related Compounds

(2R)-2-[(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]butanoic acid
CID 129498272
(2S)-2-(2-hydroxypyrrolidin-1-yl)butanoic acid
CID 147425370
1-(1-butan-2-ylpiperidin-2-yl)ethanol
CID 130747081
(2R)-2-[(3R)-3-[(1S)-1-hydroxyethyl]piperidin-1-yl]butanoic acid
CID 129495909
2-[4-(1-hydroxyethyl)piperidin-1-yl]butanoic acid
CID 103519870
2-(2-carbamothioylpiperidin-1-yl)butanoic acid
CID 64662154
2-[2-(2-oxocyclohexyl)piperidin-1-yl]butanoic acid
CID 79552951
1-[1-(1-hydroxyethyl)piperidin-2-yl]ethanol
CID 122614507
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]butanoic acid
CID 64660796
2-(2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl)butanoic acid
CID 121204472
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
2-(2-benzhydrylpiperidin-1-yl)butanamide
CID 3030424

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid?
The IUPAC name of 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid (CID 121201708) is 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid?
The canonical SMILES for 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid is CCC(C(=O)O)N1CCCC1C(C)O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid?
The InChIKey is PGZNKCXAQFWNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-8(10(13)14)11-6-4-5-9(11)7(2)12/h7-9,12H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid?
2-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic 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-[2-(1-hydroxyethyl)pyrrolidin-1-yl]butanoic acid is sourced from PubChem (CID 121201708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).