(3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid

C9H16N2O3 — CID 68517247

IUPAC(3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid
SMILESC=CCO[C@H]1CN(C(=O)O)CC[C@H]1N
InChIInChI=1S/C9H16N2O3/c1-2-5-14-8-6-11(9(12)13)4-3-7(8)10/h2,7-8H,1,3-6,10H2,(H,12,13)/t7-,8+/m1/s1
InChIKeyUXYHIOCFJCXMKG-SFYZADRCSA-N
MW200.24 g/mol
LogP0.27
Rot. Bonds3

About (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid

(3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid (PubChem CID 68517247) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid
PubChem CID68517247
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid
SMILESC=CCO[C@H]1CN(C(=O)O)CC[C@H]1N
InChIInChI=1S/C9H16N2O3/c1-2-5-14-8-6-11(9(12)13)4-3-7(8)10/h2,7-8H,1,3-6,10H2,(H,12,13)/t7-,8+/m1/s1
InChIKeyUXYHIOCFJCXMKG-SFYZADRCSA-N
XLogP0.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid?
The IUPAC name of (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid (CID 68517247) is (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid is C=CCO[C@H]1CN(C(=O)O)CC[C@H]1N.
What is the InChIKey of (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid?
The InChIKey is UXYHIOCFJCXMKG-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-2-5-14-8-6-11(9(12)13)4-3-7(8)10/h2,7-8H,1,3-6,10H2,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid?
(3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-amino-3-prop-2-enoxypiperidine-1-carboxylic acid is sourced from PubChem (CID 68517247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).