2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid

C7H13NO3 — CID 53401908

IUPAC2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC1CO
InChIInChI=1S/C7H13NO3/c9-5-6-2-1-3-8(6)4-7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyJLVXBPBNYIMTTB-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.47
Rot. Bonds3

About 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid

2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid (PubChem CID 53401908) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
PubChem CID53401908
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
SMILESO=C(O)CN1CCCC1CO
InChIInChI=1S/C7H13NO3/c9-5-6-2-1-3-8(6)4-7(10)11/h6,9H,1-5H2,(H,10,11)
InChIKeyJLVXBPBNYIMTTB-UHFFFAOYSA-N
XLogP-0.47
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyl-L-proline
CID 643474
N,N-Dimethylproline
CID 448301
1-Methylpyrrolidine-2-carboxylic acid
CID 557
(2R)-1-methylpyrrolidine-2-carboxylic acid
CID 854034
1,1-Dimethylpyrrolidin-1-ium-2-carboxylic acid
CID 555
1-Ethylpyrrolidine-2-carboxylic acid
CID 19371949
(2R)-1-ethylpyrrolidine-2-carboxylic acid
CID 28354716
1-Methyl-L-proline--water (1/1)
CID 16211958
2-(2-(Hydroxymethyl)pyrrolidin-1-yl)acetic acid; trifluoroacetic acid
CID 165672165
CID 7016563
CID 7016563
N-(b-hydroxyethyl)pyrrolidine-2-carboxylic acid
CID 14482398
1-(Carboxymethyl)-L-proline
CID 15544535

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid (CID 53401908) is 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid is O=C(O)CN1CCCC1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is JLVXBPBNYIMTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c9-5-6-2-1-3-8(6)4-7(10)11/h6,9H,1-5H2,(H,10,11).
What are the key properties of 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid?
2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 159.18 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 53401908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).