(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid

C10H16N2O3 — CID 121437087

IUPAC(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESC=CCCNC(=O)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C10H16N2O3/c1-2-3-6-11-9(13)8-5-4-7-12(8)10(14)15/h2,8H,1,3-7H2,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyGMSZBPXUUSEOLI-QMMMGPOBSA-N
MW212.25 g/mol
LogP0.82
Rot. Bonds4

About (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid

(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 121437087) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID121437087
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESC=CCCNC(=O)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C10H16N2O3/c1-2-3-6-11-9(13)8-5-4-7-12(8)10(14)15/h2,8H,1,3-7H2,(H,11,13)(H,14,15)/t8-/m0/s1
InChIKeyGMSZBPXUUSEOLI-QMMMGPOBSA-N
XLogP0.82
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
2-[2-(dodecylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67813627
2-prop-2-enoylpyrrolidine-1-carboxylic acid
CID 69463823
(2R)-N-but-3-enyloxolane-2-carboxamide
CID 104861411
(2R)-1-pent-4-enoylpyrrolidine-2-carboxylic acid
CID 58070890
2-[[4-[(4-chlorophenyl)methylamino]-4-oxobutyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 67811566
2-(2-carboxyacetyl)pyrrolidine-1-carboxylic acid
CID 69059915
2-(hydroxycarbamoyl)piperidine-1-carboxylic acid
CID 54289954
(2S)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylcarbamoyl]piperidine-1-carboxylic acid
CID 148549312
1-(prop-2-enylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61193747
CID 59765360
CID 59765360

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 121437087) is (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid is C=CCCNC(=O)[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is GMSZBPXUUSEOLI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-3-6-11-9(13)8-5-4-7-12(8)10(14)15/h2,8H,1,3-7H2,(H,11,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid?
(2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(but-3-enylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 121437087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).