(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid

C10H17NO2 — CID 127032319

IUPAC(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid
SMILESC=CCC[C@H]1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO2/c1-2-3-4-8-5-6-11-7-9(8)10(12)13/h2,8-9,11H,1,3-7H2,(H,12,13)/t8-,9-/m0/s1
InChIKeyQMCAREWCPCREDG-IUCAKERBSA-N
MW183.25 g/mol
LogP1.26
Rot. Bonds4

About (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid

(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid (PubChem CID 127032319) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid
PubChem CID127032319
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid
SMILESC=CCC[C@H]1CCNC[C@@H]1C(=O)O
InChIInChI=1S/C10H17NO2/c1-2-3-4-8-5-6-11-7-9(8)10(12)13/h2,8-9,11H,1,3-7H2,(H,12,13)/t8-,9-/m0/s1
InChIKeyQMCAREWCPCREDG-IUCAKERBSA-N
XLogP1.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-boronopropyl)piperidine-3-carboxylic acid
CID 155793426
2-but-3-enyl-4-propylcyclohexane-1-carboxylic acid
CID 81020893
(3S)-4-methylpiperidine-3-carboxylic acid
CID 67216948
4-hydroxypiperidine-3-carboxylic acid
CID 10261211
2-hept-6-enylcyclohexane-1-carboxylic acid
CID 107010655
2-hept-6-enylcycloheptane-1-carboxylic acid
CID 107010657
acetic acid;methyl 4-(3-hydroxypropyl)piperidine-3-carboxylate
CID 67539276
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
3-O-methyl 4-O-prop-2-enyl (3R,4R)-piperidine-3,4-dicarboxylate
CID 66953049
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174621370
5-(2-methylpropyl)azepane-4-carboxylic acid
CID 84669033
4-prop-2-enylpiperidin-3-ol
CID 89139617

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid (CID 127032319) is (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid is C=CCC[C@H]1CCNC[C@@H]1C(=O)O.
What is the InChIKey of (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid?
The InChIKey is QMCAREWCPCREDG-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-8-5-6-11-7-9(8)10(12)13/h2,8-9,11H,1,3-7H2,(H,12,13)/t8-,9-/m0/s1.
What are the key properties of (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid?
(3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-but-3-enylpiperidine-3-carboxylic acid is sourced from PubChem (CID 127032319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).