2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate

C8H10NO4- — CID 23105046

IUPAC2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate
SMILESC=C(C(=O)[O-])C(=O)C1CCCN1O
InChIInChI=1S/C8H11NO4/c1-5(8(11)12)7(10)6-3-2-4-9(6)13/h6,13H,1-4H2,(H,11,12)/p-1
InChIKeyYZKZSIPKAJNPJI-UHFFFAOYSA-M
MW184.17 g/mol
LogP-1.28
Rot. Bonds3

About 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate

2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate (PubChem CID 23105046) has the molecular formula C8H10NO4- and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate.

Molecular Properties

Compound Name2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate
PubChem CID23105046
Molecular FormulaC8H10NO4-
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate
SMILESC=C(C(=O)[O-])C(=O)C1CCCN1O
InChIInChI=1S/C8H11NO4/c1-5(8(11)12)7(10)6-3-2-4-9(6)13/h6,13H,1-4H2,(H,11,12)/p-1
InChIKeyYZKZSIPKAJNPJI-UHFFFAOYSA-M
XLogP-1.28
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

sodium (2S)-1-hydroxypiperidine-2-carboxylate
CID 169441479
CID 175713287
CID 175713287
(2S)-1-hydroxypyrrolidine-2-carboxylic acid;hydrate
CID 156642898
azane;1-hydroxypyrrolidine-2-carboxylic acid
CID 138563399
phosphanyl 1-hydroxypyrrolidine-2-carboxylate
CID 164576898
methyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 11240554
2-aminoacetic acid;1-hydroxypyrrolidine-2-carboxylic acid
CID 18326979
potassium (2S)-1-methylpyrrolidine-2-carboxylate
CID 169244754
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
(2S)-1-deuteriooxypyrrolidine-2-carboxamide
CID 140857244
hexadecanoyl (2S)-1-hydroxypyrrolidine-2-carboxylate
CID 98048181
1-oxidopyrrolidine-2-carboxylic acid
CID 87113946

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate?
The IUPAC name of 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate (CID 23105046) is 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate.
What is the SMILES notation for 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate?
The canonical SMILES for 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate is C=C(C(=O)[O-])C(=O)C1CCCN1O.
What is the InChIKey of 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate?
The InChIKey is YZKZSIPKAJNPJI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO4/c1-5(8(11)12)7(10)6-3-2-4-9(6)13/h6,13H,1-4H2,(H,11,12)/p-1.
What are the key properties of 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate?
2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate has a molecular weight of 184.17 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypyrrolidine-2-carbonyl)prop-2-enoate is sourced from PubChem (CID 23105046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).