2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid

C9H15NO3 — CID 112626149

IUPAC2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid
SMILESC=C(CN1CCC(CO)C1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-7(9(12)13)4-10-3-2-8(5-10)6-11/h8,11H,1-6H2,(H,12,13)
InChIKeyBUYBOBUJYXHROP-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.06
Rot. Bonds4

About 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid

2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid (PubChem CID 112626149) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid
PubChem CID112626149
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid
SMILESC=C(CN1CCC(CO)C1)C(=O)O
InChIInChI=1S/C9H15NO3/c1-7(9(12)13)4-10-3-2-8(5-10)6-11/h8,11H,1-6H2,(H,12,13)
InChIKeyBUYBOBUJYXHROP-UHFFFAOYSA-N
XLogP-0.06
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]prop-2-enoic acid
CID 107227868
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 102959425
2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-1-phenylethanone
CID 129394491
CID 59303854
CID 59303854
2-[(4-propan-2-ylpiperidin-1-yl)methyl]prop-2-enoic acid
CID 103498201
1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetyl]pyrrolidin-2-one
CID 62371576
N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371580
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 129393091
2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 94158736
ethyl 5-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-oxopentanoate
CID 103484577
N-ethyl-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60645129

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid?
The IUPAC name of 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid (CID 112626149) is 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid?
The canonical SMILES for 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid is C=C(CN1CCC(CO)C1)C(=O)O.
What is the InChIKey of 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid?
The InChIKey is BUYBOBUJYXHROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(9(12)13)4-10-3-2-8(5-10)6-11/h8,11H,1-6H2,(H,12,13).
What are the key properties of 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid?
2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid has a molecular weight of 185.22 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]prop-2-enoic acid is sourced from PubChem (CID 112626149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).